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

C10H13NO2S — CID 22494322

IUPAC2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(C2CCCC2)nc1C(=O)O
InChIInChI=1S/C10H13NO2S/c1-6-8(10(12)13)11-9(14-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyZFCUDFUNJOSNJO-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.81
Rot. Bonds2

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

2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 22494322) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID22494322
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(C2CCCC2)nc1C(=O)O
InChIInChI=1S/C10H13NO2S/c1-6-8(10(12)13)11-9(14-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyZFCUDFUNJOSNJO-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid (CID 22494322) is 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(C2CCCC2)nc1C(=O)O.
What is the InChIKey of 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZFCUDFUNJOSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6-8(10(12)13)11-9(14-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid?
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22494322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).