4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid

C7H9NO2S — CID 14648765

IUPAC4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C)sc1C(=O)O
InChIInChI=1S/C7H9NO2S/c1-3-5-6(7(9)10)11-4(2)8-5/h3H2,1-2H3,(H,9,10)
InChIKeyVANMGYYUWZXKPW-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.71
Rot. Bonds2

About 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid

4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 14648765) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID14648765
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C)sc1C(=O)O
InChIInChI=1S/C7H9NO2S/c1-3-5-6(7(9)10)11-4(2)8-5/h3H2,1-2H3,(H,9,10)
InChIKeyVANMGYYUWZXKPW-UHFFFAOYSA-N
XLogP1.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid (CID 14648765) is 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid is CCc1nc(C)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VANMGYYUWZXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-5-6(7(9)10)11-4(2)8-5/h3H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 171.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 14648765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).