N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide

C19H16N4OS — CID 71999371

IUPACN-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N4OS/c20-9-5-11-23(13-15-6-4-10-21-12-15)19(24)18-22-17(14-25-18)16-7-2-1-3-8-16/h1-4,6-8,10,12,14H,5,11,13H2
InChIKeyNTDSUWZVMPJPOO-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.76
Rot. Bonds6

About N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide

N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide (PubChem CID 71999371) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
PubChem CID71999371
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16N4OS/c20-9-5-11-23(13-15-6-4-10-21-12-15)19(24)18-22-17(14-25-18)16-7-2-1-3-8-16/h1-4,6-8,10,12,14H,5,11,13H2
InChIKeyNTDSUWZVMPJPOO-UHFFFAOYSA-N
XLogP3.76
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-1-(4-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3663326
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 78800017
N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 42750171
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
2-amino-N-(2-cyanoethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792882
N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115496717
N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170549
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 60609850
N-(2-cyanoethyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43582269
N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 51098170
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide (CID 71999371) is N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide is N#CCCN(Cc1cccnc1)C(=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is NTDSUWZVMPJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c20-9-5-11-23(13-15-6-4-10-21-12-15)19(24)18-22-17(14-25-18)16-7-2-1-3-8-16/h1-4,6-8,10,12,14H,5,11,13H2.
What are the key properties of N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide?
N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 71999371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).