(E)-3-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide

Formula:C16H14N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
MolecularFormula	C16H14N2O3S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nc(CCC2)c2s1
InChI	InChI=1S/C16H14N2O3S/c19-15(18-16-17-11-2-1-3-14(11)22-16)7-5-10-4-6-12-13(8-10)21-9-20-12/h4-8H,1-3,9H2,(H,17,18,19)
InChIK	OVSSFYHYQGFZJP-UHFFFAOYSA-N
TotalMolweight	314.364
Molweight	314.364
MonoisotopicMass	314.072513
CLogP	3.824
CLogS	-4.898
H Acceptors	5
H Donors	1
TotalSurfaceArea	231.47
Relative PSA	0.3276
PolarSurfaceArea	88.69
Druglikeness	-1.3164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide

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