Chemical : 5-(Methanesulfonyl)-4-phenyl-1,3-thiazol-2-amine
Casrn : 1000018-51-8 |
MolName : 5-(Methanesulfonyl)-4-phenyl-1,3-thiazol-2-amine |
MolecularFormula : C10H10N2O2S2 |
Smiles : CS(c1c(-c2ccccc2)nc(N)s1)(=O)=O |
InChI : InChI=1S/C10H10N2O2S2/c1-16(13,14)9-8(12-10(11)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12) |
InChIK : MENYNNGOWMJUEG-UHFFFAOYSA-N |
CanonicalSyTyLFy : 443d515a8f90b24d |
TotalMolweight : 254.333 |
Molweight : 254.333 |
MonoisotopicMass : 254.018368 |
CLogP : 1.5645 |
CLogS : -3.637 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 177.08 |
Relative PSA : 0.42455 |
PolarSurfaceArea : 109.67 |
Druglikeness : 1.3137 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Molecula Flexibility : 0.46955 |
Molecular Complexity : 0.75329 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 2 |
Symmetricatoms : 3 |
Aromatic Nitrogens : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100016-58-8 | none | high | none | C19H19NO5 | 341.362 | 1.8385 |
100004-78-2 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 |
1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 |
10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 |
1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
1000-28-8 | none | none | none | C6H3OF11 | 300.067 | -44.343 |
1000269-68-0 | none | none | none | C14H24N4 | 248.373 | 0.99367 |
1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
100-13-0 | none | none | low | C8H7NO2 | 149.149 | -10.212 |
100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 |
10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 |
100011-01-6 | none | none | none | C9H18O2 | 158.24 | -2.3462 |
1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
100-25-4 | none | none | none | C6H4N2O4 | 168.108 | -7.74 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 |
10002-97-8 | none | none | none | C18H30O2 | 278.434 | 0.24997 |
100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
100007-62-3 | none | none | high | C8H13NO | 139.197 | -8.1398 |
1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 |
1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
1000279-69-5 | none | none | none | C20H19N2O3ClS | 402.901 | 5.7907 |
1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 |
10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 |
100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 |
100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 |
100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
100004-80-6 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
1000018-21-2 | none | none | none | C17H25N3O6S | 399.467 | -41.344 |
100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 |
10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
1000018-10-9 | none | none | none | C7H8N2OBr2 | 295.962 | -5.2121 |
100-02-7 | none | none | none | C6H5NO3 | 139.11 | -7.5665 |
10-18-2004 | none | none | none | C6H8OS2 | 160.261 | -3.1913 |
100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |