(E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid

Formula:C11H8N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid
MolecularFormula	C11H8N2O3S2
Smiles	OC(/C=C/C(Nc1ncc(-c2cccs2)s1)=O)=O
InChI	InChI=1S/C11H8N2O3S2/c14-9(3-4-10(15)16)13-11-12-6-8(18-11)7-2-1-5-17-7/h1-6H,(H,15,16)(H,12,13,14)
InChIK	QUPRFQXCTVCHQL-UHFFFAOYSA-N
TotalMolweight	280.328
Molweight	280.328
MonoisotopicMass	279.997633
CLogP	2.2907
CLogS	-3.506
H Acceptors	5
H Donors	2
TotalSurfaceArea	203.47
Relative PSA	0.50292
PolarSurfaceArea	135.77
Druglikeness	3.3362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid | 2 - (E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid

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