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

Formula:C19H12N4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylprop-2-enenitrile
MolecularFormula	C19H12N4S3
Smiles	N#C/C(/c1nc(CSc2nc(cccc3)c3s2)cs1)=C\c1cnccc1
InChI	InChI=1S/C19H12N4S3/c20-9-14(8-13-4-3-7-21-10-13)18-22-15(11-24-18)12-25-19-23-16-5-1-2-6-17(16)26-19/h1-8,10-11H,12H2
InChIK	WTPSSSBYLORZJA-UHFFFAOYSA-N
TotalMolweight	392.53
Molweight	392.53
MonoisotopicMass	392.022406
CLogP	3.6791
CLogS	-5.153
H Acceptors	4
TotalSurfaceArea	293.21
Relative PSA	0.35701
PolarSurfaceArea	144.24
Druglikeness	-1.5663
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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