(E)-3-(1,3-benzodioxol-5-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

Formula:C17H12N2O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
MolecularFormula	C17H12N2O3S2
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nc(-c2cccs2)cs1
InChI	InChI=1S/C17H12N2O3S2/c20-16(6-4-11-3-5-13-14(8-11)22-10-21-13)19-17-18-12(9-24-17)15-2-1-7-23-15/h1-9H,10H2,(H,18,19,20)
InChIK	ROQTWNKJJXGHKI-UHFFFAOYSA-N
TotalMolweight	356.425
Molweight	356.425
MonoisotopicMass	356.028933
CLogP	4.6467
CLogS	-5.641
H Acceptors	5
H Donors	1
TotalSurfaceArea	259.39
Relative PSA	0.37083
PolarSurfaceArea	116.93
Druglikeness	2.9396
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon

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