(Z)-4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid

Formula:C20H15N3O4S Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
MolecularFormula	C20H15N3O4S
Smiles	OC(/C=C\C(Nc1nc(-c(cc2)ccc2NC(c2ccccc2)=O)cs1)=O)=O
InChI	InChI=1S/C20H15N3O4S/c24-17(10-11-18(25)26)23-20-22-16(12-28-20)13-6-8-15(9-7-13)21-19(27)14-4-2-1-3-5-14/h1-12H,(H,21,27)(H,25,26)(H,22,23,24)
InChIK	UPTRTMBDERTHBA-UHFFFAOYSA-N
TotalMolweight	393.422
Molweight	393.422
MonoisotopicMass	393.078327
CLogP	3.2666
CLogS	-4.768
H Acceptors	7
H Donors	3
TotalSurfaceArea	296.5
Relative PSA	0.35909
PolarSurfaceArea	136.63
Druglikeness	2.6833
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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