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

C17H15N3OS — CID 110649811

IUPACN-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H15N3OS/c1-2-12-6-8-13(9-7-12)19-16(21)15-11-22-17(20-15)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyFBFRRUXQNWLPMP-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.02
Rot. Bonds4

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

N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110649811) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110649811
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H15N3OS/c1-2-12-6-8-13(9-7-12)19-16(21)15-11-22-17(20-15)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyFBFRRUXQNWLPMP-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
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-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647739
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
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-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846690

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 110649811) is N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is CCc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FBFRRUXQNWLPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-12-6-8-13(9-7-12)19-16(21)15-11-22-17(20-15)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110649811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).