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

C17H15N3OS — CID 46546339

IUPAC2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3OS/c21-16(19-10-8-13-5-4-9-18-11-13)15-12-22-17(20-15)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeyHELJQBBBZWGIAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.18
Rot. Bonds5

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

2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46546339) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID46546339
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3OS/c21-16(19-10-8-13-5-4-9-18-11-13)15-12-22-17(20-15)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,19,21)
InChIKeyHELJQBBBZWGIAU-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3438111
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide (CID 46546339) is 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1cccnc1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HELJQBBBZWGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(19-10-8-13-5-4-9-18-11-13)15-12-22-17(20-15)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,19,21).
What are the key properties of 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46546339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).