(2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

Formula:C22H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is a drug-like molecule.

MolName	(2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
MolecularFormula	C22H16N4O2S
Smiles	NC(C(C(c1ccccc1)C(C#N)=C(N)N1C2=O)=C1S/C2=C\c1ccccc1)=O
InChI	InChI=1S/C22H16N4O2S/c23-12-15-17(14-9-5-2-6-10-14)18(20(25)27)22-26(19(15)24)21(28)16(29-22)11-13-7-3-1-4-8-13/h1-11,17H,24H2,(H2,25,27)/t17-/m0/s1
InChIK	PHIHICPCNZPZKM-KRWDZBQOSA-N
TotalMolweight	400.461
Molweight	400.461
MonoisotopicMass	400.099396
CLogP	2.7833
CLogS	-6.079
H Acceptors	6
H Donors	2
TotalSurfaceArea	291.11
Relative PSA	0.31335
PolarSurfaceArea	138.51
Druglikeness	0.57462
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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1 - (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide | 2 - (2Z)-5-amino-2-benzylidene-6-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

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