2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C14H13NO2S — CID 81173771

IUPAC2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CC2CC2)nc1-c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-14(17)13-12(10-4-2-1-3-5-10)15-11(18-13)8-9-6-7-9/h1-5,9H,6-8H2,(H,16,17)
InChIKeyZHCUAUPOYRIZQE-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.46
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 81173771) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID81173771
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CC2CC2)nc1-c1ccccc1
InChIInChI=1S/C14H13NO2S/c16-14(17)13-12(10-4-2-1-3-5-10)15-11(18-13)8-9-6-7-9/h1-5,9H,6-8H2,(H,16,17)
InChIKeyZHCUAUPOYRIZQE-UHFFFAOYSA-N
XLogP3.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-4-phenyl-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-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 81173771) is 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(CC2CC2)nc1-c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZHCUAUPOYRIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(17)13-12(10-4-2-1-3-5-10)15-11(18-13)8-9-6-7-9/h1-5,9H,6-8H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 81173771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).