(E)-3-(5-nitrothiophen-2-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide

Formula:C15H10N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-nitrothiophen-2-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(5-nitrothiophen-2-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
MolecularFormula	C15H10N4O3S2
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nc(-c3ccncc3)cs2)=O)s1)=O
InChI	InChI=1S/C15H10N4O3S2/c20-13(3-1-11-2-4-14(24-11)19(21)22)18-15-17-12(9-23-15)10-5-7-16-8-6-10/h1-9H,(H,17,18,20)
InChIK	LASDOOJTGFSJJE-UHFFFAOYSA-N
TotalMolweight	358.401
Molweight	358.401
MonoisotopicMass	358.019431
CLogP	2.6455
CLogS	-4.834
H Acceptors	7
H Donors	1
TotalSurfaceArea	261.56
Relative PSA	0.44953
PolarSurfaceArea	157.18
Druglikeness	-2.7725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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