5-methyl-1,3-thiazole-4-carboxylic acid

C5H5NO2S — CID 14109320

IUPAC5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1scnc1C(=O)O
InChIInChI=1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
InChIKeyOIWNDJQQIMISPC-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.15
Rot. Bonds1

About 5-methyl-1,3-thiazole-4-carboxylic acid

5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 14109320) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID14109320
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1scnc1C(=O)O
InChIInChI=1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
InChIKeyOIWNDJQQIMISPC-UHFFFAOYSA-N
XLogP1.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylthiazole-5-carboxylic acid
CID 209805
Dimethyl-1,3-thiazole-4-carboxylic acid
CID 13835313
5-(1-Methylethyl)-4-thiazolecarboxylic acid
CID 22573054
5-(Trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 28875573
Methyl 5-methylthiazole-4-carboxylate
CID 37818647
5-Ethyl-1,3-thiazole-4-carboxylic acid
CID 45121702
2-Bromo-5-methyl-1,3-thiazole-4-carboxylic acid
CID 53445893
2-Chloro-5-methyl-1,3-thiazole-4-carboxylic acid
CID 67111136
5-Ethynyl-4-methoxycarbonylthiazole
CID 86609810
5-Methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 112639649
5-(Ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214786
Thiazole-4,5-dicarboxylic acid
CID 193584

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1,3-thiazole-4-carboxylic acid (CID 14109320) is 5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1,3-thiazole-4-carboxylic acid is Cc1scnc1C(=O)O.
What is the InChIKey of 5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is OIWNDJQQIMISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8).
What are the key properties of 5-methyl-1,3-thiazole-4-carboxylic acid?
5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 143.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 14109320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).