5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid

C9H7NO3S — CID 47003397

IUPAC5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)co2)cs1
InChIInChI=1S/C9H7NO3S/c1-5-10-7(4-14-5)8-2-6(3-13-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyRIRGICPHIMIPQF-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid

5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid (PubChem CID 47003397) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid
PubChem CID47003397
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)co2)cs1
InChIInChI=1S/C9H7NO3S/c1-5-10-7(4-14-5)8-2-6(3-13-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyRIRGICPHIMIPQF-UHFFFAOYSA-N
XLogP2.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methyl-1,3-thiazol-4-yl)furan-3-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 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid (CID 47003397) is 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid is Cc1nc(-c2cc(C(=O)O)co2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The InChIKey is RIRGICPHIMIPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-10-7(4-14-5)8-2-6(3-13-8)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 47003397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).