2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid

C15H23NO2S — CID 69473755

IUPAC2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CCC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14-16-11(12(19-14)13(17)18)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyMHOBCRJIECHYQW-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.26
Rot. Bonds4

About 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid

2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 69473755) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID69473755
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CCC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14-16-11(12(19-14)13(17)18)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,17,18)
InChIKeyMHOBCRJIECHYQW-UHFFFAOYSA-N
XLogP4.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid (CID 69473755) is 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(CCC2CCCC2)c(C(=O)O)s1.
What is the InChIKey of 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MHOBCRJIECHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)14-16-11(12(19-14)13(17)18)9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid?
2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69473755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).