2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

C18H17N3OS — CID 24538060

IUPAC2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1
InChIInChI=1S/C18H17N3OS/c1-3-13-4-6-14(7-5-13)18-20-15(11-23-18)17(22)21-16-10-12(2)8-9-19-16/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyZSLMVPWWRVICLF-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24538060) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24538060
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1
InChIInChI=1S/C18H17N3OS/c1-3-13-4-6-14(7-5-13)18-20-15(11-23-18)17(22)21-16-10-12(2)8-9-19-16/h4-11H,3H2,1-2H3,(H,19,21,22)
InChIKeyZSLMVPWWRVICLF-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 26958679
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513
N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110649811
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837914
5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 82109082

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24538060) is 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZSLMVPWWRVICLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-3-13-4-6-14(7-5-13)18-20-15(11-23-18)17(22)21-16-10-12(2)8-9-19-16/h4-11H,3H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24538060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).