(E)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C24H20N4OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C24H20N4OF3S
Smiles	N#C/C(/C(Nc1nc(CC[NH+](Cc2ccccc2)C2)c2s1)=O)=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C24H19F3N4OS/c25-24(26,27)19-9-5-4-8-17(19)12-18(13-28)22(32)30-23-29-20-10-11-31(15-21(20)33-23)14-16-6-2-1-3-7-16/h1-9,12H,10-11,14-15H2,(H,29,30,32)/p+1
InChIK	YDTNPFWGDQTJFC-UHFFFAOYSA-O
TotalMolweight	469.51
Molweight	469.51
MonoisotopicMass	469.13099
CLogP	2.6252
CLogS	-5.601
H Acceptors	5
H Donors	2
TotalSurfaceArea	358.45
Relative PSA	0.24266
PolarSurfaceArea	98.46
Druglikeness	-7.6717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

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1 - (E)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enamide

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