2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide

Formula:C11H11N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormulaC11H11N5O2S
SmilesNc1nnc(CC(N/N=C/c2cc(O)ccc2)=O)s1
InChIInChI=1S/C11H11N5O2S/c12-11-16-15-10(19-11)5-9(18)14-13-6-7-2-1-3-8(17)4-7/h1-4,6,17H,5H2,(H2,12,16)(H,14,18)
InChIKAPOSZNUPYRCERD-UHFFFAOYSA-N
TotalMolweight277.307
Molweight277.307
MonoisotopicMass277.063345
CLogP1.0197
CLogS-2.673
H Acceptors7
H Donors3
TotalSurfaceArea209.08
Relative PSA0.51024
PolarSurfaceArea141.73
Druglikeness5.7523
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.68421
Fragments1
Non HAtoms19
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Aromatic Nitrogens2
StereoCon

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