2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

C9H11NO2S — CID 116965810

IUPAC2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCc1csc(C2CC2C(=O)O)n1
InChIInChI=1S/C9H11NO2S/c1-2-5-4-13-8(10-5)6-3-7(6)9(11)12/h4,6-7H,2-3H2,1H3,(H,11,12)
InChIKeyFCRRHKQDBSRFHD-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116965810) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116965810
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCc1csc(C2CC2C(=O)O)n1
InChIInChI=1S/C9H11NO2S/c1-2-5-4-13-8(10-5)6-3-7(6)9(11)12/h4,6-7H,2-3H2,1H3,(H,11,12)
InChIKeyFCRRHKQDBSRFHD-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-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-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (CID 116965810) is 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is CCc1csc(C2CC2C(=O)O)n1.
What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FCRRHKQDBSRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-5-4-13-8(10-5)6-3-7(6)9(11)12/h4,6-7H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116965810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).