2-methyl-2H-1,3-thiazole-3-carboxylic acid

C5H7NO2S — CID 22355287

IUPAC2-methyl-2H-1,3-thiazole-3-carboxylic acid
SMILESCC1SC=CN1C(=O)O
InChIInChI=1S/C5H7NO2S/c1-4-6(5(7)8)2-3-9-4/h2-4H,1H3,(H,7,8)
InChIKeyUQDNNCZZDBJPIB-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.53
Rot. Bonds

About 2-methyl-2H-1,3-thiazole-3-carboxylic acid

2-methyl-2H-1,3-thiazole-3-carboxylic acid (PubChem CID 22355287) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-methyl-2H-1,3-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2H-1,3-thiazole-3-carboxylic acid
PubChem CID22355287
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name2-methyl-2H-1,3-thiazole-3-carboxylic acid
SMILESCC1SC=CN1C(=O)O
InChIInChI=1S/C5H7NO2S/c1-4-6(5(7)8)2-3-9-4/h2-4H,1H3,(H,7,8)
InChIKeyUQDNNCZZDBJPIB-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-1,3-thiazole-3-carboxylic acid?
The IUPAC name of 2-methyl-2H-1,3-thiazole-3-carboxylic acid (CID 22355287) is 2-methyl-2H-1,3-thiazole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-2H-1,3-thiazole-3-carboxylic acid?
The canonical SMILES for 2-methyl-2H-1,3-thiazole-3-carboxylic acid is CC1SC=CN1C(=O)O.
What is the InChIKey of 2-methyl-2H-1,3-thiazole-3-carboxylic acid?
The InChIKey is UQDNNCZZDBJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-4-6(5(7)8)2-3-9-4/h2-4H,1H3,(H,7,8).
What are the key properties of 2-methyl-2H-1,3-thiazole-3-carboxylic acid?
2-methyl-2H-1,3-thiazole-3-carboxylic acid has a molecular weight of 145.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-1,3-thiazole-3-carboxylic acid is sourced from PubChem (CID 22355287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).