4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid

C11H15NO2S — CID 115035110

IUPAC4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2(C)CCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-8(9(13)14)15-10(12-7)11(2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14)
InChIKeyULGIUCSSKOVOKV-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115035110) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
PubChem CID115035110
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2(C)CCCC2)sc1C(=O)O
InChIInChI=1S/C11H15NO2S/c1-7-8(9(13)14)15-10(12-7)11(2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14)
InChIKeyULGIUCSSKOVOKV-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid (CID 115035110) is 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(C2(C)CCCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ULGIUCSSKOVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-8(9(13)14)15-10(12-7)11(2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115035110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).