N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C17H14N4O2S — CID 48845320

IUPACN-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(22)19-12-5-7-13(8-6-12)20-16(23)15-10-24-17(21-15)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,23)
InChIKeyPPSJUOCSIFLPKF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.42
Rot. Bonds4

About N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 48845320) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID48845320
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(22)19-12-5-7-13(8-6-12)20-16(23)15-10-24-17(21-15)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,23)
InChIKeyPPSJUOCSIFLPKF-UHFFFAOYSA-N
XLogP3.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110649811
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
N-(3-chloro-4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846766
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647739
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 48845320) is N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PPSJUOCSIFLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11(22)19-12-5-7-13(8-6-12)20-16(23)15-10-24-17(21-15)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48845320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).