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

Formula:C21H15N3O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C21H15N3O2S2
Smiles	O=C(/C=C/c1ccco1)NC(Nc1cc(-c2nc(cccc3)c3s2)ccc1)=S
InChI	InChI=1S/C21H15N3O2S2/c25-19(11-10-16-7-4-12-26-16)24-21(27)22-15-6-3-5-14(13-15)20-23-17-8-1-2-9-18(17)28-20/h1-13H,(H2,22,24,25,27)
InChIK	POCVMCGWEOGERT-UHFFFAOYSA-N
TotalMolweight	405.501
Molweight	405.501
MonoisotopicMass	405.060567
CLogP	4.3396
CLogS	-5.286
H Acceptors	5
H Donors	2
TotalSurfaceArea	311.65
Relative PSA	0.35103
PolarSurfaceArea	127.49
Druglikeness	0.98504
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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