6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid

C12H12N2O2S — CID 112561983

IUPAC6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c(C)n2)c(C)s1
InChIInChI=1S/C12H12N2O2S/c1-6-9(12(15)16)4-5-10(13-6)11-7(2)17-8(3)14-11/h4-5H,1-3H3,(H,15,16)
InChIKeySJSQKJYWHLJUPB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.83
Rot. Bonds2

About 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid

6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid (PubChem CID 112561983) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid
PubChem CID112561983
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c(C)n2)c(C)s1
InChIInChI=1S/C12H12N2O2S/c1-6-9(12(15)16)4-5-10(13-6)11-7(2)17-8(3)14-11/h4-5H,1-3H3,(H,15,16)
InChIKeySJSQKJYWHLJUPB-UHFFFAOYSA-N
XLogP2.83
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethyl-1,3-thiazol-4-yl)pyridine-2-carboxylic acid
CID 84736468
2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
CID 63751054
6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 63752087
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
2,7-dimethyl-1,3-benzothiazole-4-carboxylic acid
CID 84675176
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
CID 96597337
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid (CID 112561983) is 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)c(C)n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is SJSQKJYWHLJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-6-9(12(15)16)4-5-10(13-6)11-7(2)17-8(3)14-11/h4-5H,1-3H3,(H,15,16).
What are the key properties of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid?
6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 112561983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).