(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile

Formula:C20H13N3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
MolecularFormula	C20H13N3S3
Smiles	N#C/C(/c1nc(CSc2nc(cccc3)c3s2)cs1)=C\c1ccccc1
InChI	InChI=1S/C20H13N3S3/c21-11-15(10-14-6-2-1-3-7-14)19-22-16(12-24-19)13-25-20-23-17-8-4-5-9-18(17)26-20/h1-10,12H,13H2
InChIK	MUOVZZDJJOHFEP-UHFFFAOYSA-N
TotalMolweight	391.542
Molweight	391.542
MonoisotopicMass	391.027157
CLogP	4.68
CLogS	-5.948
H Acceptors	3
TotalSurfaceArea	294.45
Relative PSA	0.31825
PolarSurfaceArea	131.35
Druglikeness	-1.5663
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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