(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C17H12N3OClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C17H12N3OClS3
Smiles	O=C(/C=C/c1cccs1)NC(Nc1nc(-c(cc2)ccc2Cl)cs1)=S
InChI	InChI=1S/C17H12ClN3OS3/c18-12-5-3-11(4-6-12)14-10-25-17(19-14)21-16(23)20-15(22)8-7-13-2-1-9-24-13/h1-10H,(H2,19,20,21,22,23)
InChIK	AWODPWQHYCUQQI-UHFFFAOYSA-N
TotalMolweight	405.953
Molweight	405.953
MonoisotopicMass	404.983099
CLogP	5.1668
CLogS	-6.3
H Acceptors	4
H Donors	2
TotalSurfaceArea	298.72
Relative PSA	0.38715
PolarSurfaceArea	142.59
Druglikeness	2.6687
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; thio-amide/urea
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
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

Click to Load Molecule:

1 - (E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Request More Details | (E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments