2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid

C11H10N2O3S — CID 114937601

IUPAC2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)s2)cn1
InChIInChI=1S/C11H10N2O3S/c1-6-9(11(14)15)13-10(17-6)7-3-4-8(16-2)12-5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyWPWSBWZJEIVPBF-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.22
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 114937601) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID114937601
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)s2)cn1
InChIInChI=1S/C11H10N2O3S/c1-6-9(11(14)15)13-10(17-6)7-3-4-8(16-2)12-5-7/h3-5H,1-2H3,(H,14,15)
InChIKeyWPWSBWZJEIVPBF-UHFFFAOYSA-N
XLogP2.22
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68770175
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
2-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 136927712
2-(6-methoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114937608
1-[2-(6-methoxy-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 114938151
6-(6-methoxy-3-pyridinyl)-2,4-dimethylpyridine-3-carboxylic acid
CID 163318387
2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422375
N-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 71703668
2-(2-chloro-3,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422373
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 114937601) is 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)c(C)s2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is WPWSBWZJEIVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-9(11(14)15)13-10(17-6)7-3-4-8(16-2)12-5-7/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114937601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).