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

Formula:C21H14N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enenitrile
MolecularFormula	C21H14N4O2S
Smiles	N#C/C(/c1nc(CCN(C(c2c3cccc2)=O)C3=O)cs1)=C\c1ccncc1
InChI	InChI=1S/C21H14N4O2S/c22-12-15(11-14-5-8-23-9-6-14)19-24-16(13-28-19)7-10-25-20(26)17-3-1-2-4-18(17)21(25)27/h1-6,8-9,11,13H,7,10H2
InChIK	BBTPMILWCBTSMM-UHFFFAOYSA-N
TotalMolweight	386.434
Molweight	386.434
MonoisotopicMass	386.083746
CLogP	2.398
CLogS	-3.332
H Acceptors	6
TotalSurfaceArea	292.48
Relative PSA	0.29229
PolarSurfaceArea	115.19
Druglikeness	1.2014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enenitrile | 2 - (E)-2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enenitrile

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