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1000018 51 8 | Cheminformatics

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
100016-58-8nonehighnoneC19H19NO5341.3621.8385
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-65-2highnonenoneC6H7NO109.128-1.548
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100010-21-7nonenonenoneC14H21NO219.327-4.2999
1000-28-8nonenonenoneC6H3OF11300.067-44.343
1000269-68-0nonenonenoneC14H24N4248.3730.99367
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100-13-0nonenonelowC8H7NO2149.149-10.212
100-71-0nonenonenoneC7H9N107.155-2.2725
10-00-4nonenonenoneC28H34O8498.57-4.8409
100011-01-6nonenonenoneC9H18O2158.24-2.3462
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-63-0highhighnoneC6H8N2108.144-4.3224
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100012-67-7highhighhighC12H12O5236.222-19.846
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-93-6highhighhighC19H18N2O2S338.43-12.848
100-76-5nonenonehighC7H13N111.1873.5517
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000339-32-1nonenonenoneC11H14NF179.2370.6275
10000-42-7highhighlowC20H18N4O3362.388-5.7793
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-99-2nonenonelowC12H27Al198.328-22.009
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100011-00-5nonenonenoneC15H24O2236.354-18.044
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-02-7nonenonenoneC6H5NO3139.11-7.5665
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216