2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide

Formula:C12H12N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormulaC12H12N4O2S
SmilesNc1nc(CC(N/N=C\c2cc(O)ccc2)=O)cs1
InChIInChI=1S/C12H12N4O2S/c13-12-15-9(7-19-12)5-11(18)16-14-6-8-2-1-3-10(17)4-8/h1-4,6-7,17H,5H2,(H2,13,15)(H,16,18)
InChIKHLZZVUNIQWNMNX-UHFFFAOYSA-N
TotalMolweight276.319
Molweight276.319
MonoisotopicMass276.068096
CLogP1.856
CLogS-3.223
H Acceptors6
H Donors3
TotalSurfaceArea210.32
Relative PSA0.45507
PolarSurfaceArea128.84
Druglikeness6.4296
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.68421
Fragments1
Non HAtoms19
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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