3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid

C10H8N2O2S — CID 164650911

IUPAC3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
SMILESCc1ncsc1-c1cnccc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-9(15-5-12-6)8-4-11-3-2-7(8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyFOJLVNVRBCVFQQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid

3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid (PubChem CID 164650911) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
PubChem CID164650911
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
SMILESCc1ncsc1-c1cnccc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-9(15-5-12-6)8-4-11-3-2-7(8)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyFOJLVNVRBCVFQQ-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
CID 114288707
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-acetylpyridine-4-carboxylic acid
CID 19902844
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
4-methyl-5-(2-phenylphenyl)-1,3-thiazole
CID 86231634
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid (CID 164650911) is 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid is Cc1ncsc1-c1cnccc1C(=O)O.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid?
The InChIKey is FOJLVNVRBCVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-9(15-5-12-6)8-4-11-3-2-7(8)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid?
3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 164650911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).