2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide

Formula:C18H13N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide is a drug-like molecule.

MolName	2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
MolecularFormula	C18H13N2O2ClS2
Smiles	O=C(CSC(S/C1=C\c2ccccc2)=NC1=O)Nc1cccc(Cl)c1
InChI	InChI=1S/C18H13ClN2O2S2/c19-13-7-4-8-14(10-13)20-16(22)11-24-18-21-17(23)15(25-18)9-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,22)
InChIK	PPHYSMWDOVVKQT-UHFFFAOYSA-N
TotalMolweight	388.898
Molweight	388.898
MonoisotopicMass	388.010695
CLogP	4.5475
CLogS	-5.76
H Acceptors	4
H Donors	1
TotalSurfaceArea	278.32
Relative PSA	0.30192
PolarSurfaceArea	109.13
Druglikeness	3.0353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide | 2 - 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide

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