(E)-3-(furan-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide

Formula:C17H13N3O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(furan-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C17H13N3O2S2
Smiles	O=C(/C=C/c1ccco1)NC(Nc1nc(-c2ccccc2)cs1)=S
InChI	InChI=1S/C17H13N3O2S2/c21-15(9-8-13-7-4-10-22-13)19-16(23)20-17-18-14(11-24-17)12-5-2-1-3-6-12/h1-11H,(H2,18,19,20,21,23)
InChIK	SRFRXUJZUFHMON-UHFFFAOYSA-N
TotalMolweight	355.441
Molweight	355.441
MonoisotopicMass	355.044917
CLogP	3.8829
CLogS	-5.236
H Acceptors	5
H Donors	2
TotalSurfaceArea	277.05
Relative PSA	0.39487
PolarSurfaceArea	127.49
Druglikeness	1.2809
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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