(E)-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide

Formula:C16H12N3O2ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C16H12N3O2ClS2
Smiles	O=C(/C=C/c1ccco1)Nc1nnc(SCc(cc2)ccc2Cl)s1
InChI	InChI=1S/C16H12ClN3O2S2/c17-12-5-3-11(4-6-12)10-23-16-20-19-15(24-16)18-14(21)8-7-13-2-1-9-22-13/h1-9H,10H2,(H,18,19,21)
InChIK	XJEQBQKXOYEAGD-UHFFFAOYSA-N
TotalMolweight	377.875
Molweight	377.875
MonoisotopicMass	377.005944
CLogP	4.2301
CLogS	-6.124
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.31
Relative PSA	0.35356
PolarSurfaceArea	121.56
Druglikeness	1.9477
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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