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

Formula:C30H27N4O2S 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-(4-phenylmethoxyphenyl)prop-2-enamide is not 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-(4-phenylmethoxyphenyl)prop-2-enamide
MolecularFormula	C30H27N4O2S
Smiles	N#C/C(/C(Nc1nc(CC[NH+](Cc2ccccc2)C2)c2s1)=O)=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C30H26N4O2S/c31-18-25(17-22-11-13-26(14-12-22)36-21-24-9-5-2-6-10-24)29(35)33-30-32-27-15-16-34(20-28(27)37-30)19-23-7-3-1-4-8-23/h1-14,17H,15-16,19-21H2,(H,32,33,35)/p+1
InChIK	SJZQXTADPIEMBT-UHFFFAOYSA-O
TotalMolweight	507.636
Molweight	507.636
MonoisotopicMass	507.185471
CLogP	3.125
CLogS	-6.164
H Acceptors	6
H Donors	2
TotalSurfaceArea	412.51
Relative PSA	0.2351
PolarSurfaceArea	107.69
Druglikeness	-0.61808
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments