N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C16H13N3O2S — CID 18109513

IUPACN-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ncccc3O)cs2)cc1
InChIInChI=1S/C16H13N3O2S/c1-10-4-6-11(7-5-10)16-18-12(9-22-16)15(21)19-14-13(20)3-2-8-17-14/h2-9,20H,1H3,(H,17,19,21)
InChIKeyKWIMQOCNHXGCHL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 18109513) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID18109513
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ncccc3O)cs2)cc1
InChIInChI=1S/C16H13N3O2S/c1-10-4-6-11(7-5-10)16-18-12(9-22-16)15(21)19-14-13(20)3-2-8-17-14/h2-9,20H,1H3,(H,17,19,21)
InChIKeyKWIMQOCNHXGCHL-UHFFFAOYSA-N
XLogP3.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 31156594
N-(3-hydroxy-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 47152291
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27649612
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 18109513) is N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ncccc3O)cs2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KWIMQOCNHXGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-10-4-6-11(7-5-10)16-18-12(9-22-16)15(21)19-14-13(20)3-2-8-17-14/h2-9,20H,1H3,(H,17,19,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).