2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid

C13H12N2O3S — CID 166293139

IUPAC2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1onc(C2CC2)c1/C=C/c1nc(C(=O)O)cs1
InChIInChI=1S/C13H12N2O3S/c1-7-9(12(15-18-7)8-2-3-8)4-5-11-14-10(6-19-11)13(16)17/h4-6,8H,2-3H2,1H3,(H,16,17)/b5-4+
InChIKeyQEZIUOUEBOYQKJ-SNAWJCMRSA-N
MW276.32 g/mol
LogP3.19
Rot. Bonds4

About 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid

2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 166293139) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID166293139
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1onc(C2CC2)c1/C=C/c1nc(C(=O)O)cs1
InChIInChI=1S/C13H12N2O3S/c1-7-9(12(15-18-7)8-2-3-8)4-5-11-14-10(6-19-11)13(16)17/h4-6,8H,2-3H2,1H3,(H,16,17)/b5-4+
InChIKeyQEZIUOUEBOYQKJ-SNAWJCMRSA-N
XLogP3.19
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-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-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid (CID 166293139) is 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid is Cc1onc(C2CC2)c1/C=C/c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QEZIUOUEBOYQKJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-9(12(15-18-7)8-2-3-8)4-5-11-14-10(6-19-11)13(16)17/h4-6,8H,2-3H2,1H3,(H,16,17)/b5-4+.
What are the key properties of 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid?
2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166293139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).