2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid

C9H7NO3S — CID 39869993

IUPAC2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cs2)o1
InChIInChI=1S/C9H7NO3S/c1-5-2-3-7(13-5)8-10-6(4-14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyYPGXXQWBQAXFNE-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid

2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 39869993) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID39869993
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cs2)o1
InChIInChI=1S/C9H7NO3S/c1-5-2-3-7(13-5)8-10-6(4-14-8)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyYPGXXQWBQAXFNE-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 2-(5-methylfuran-2-yl)-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-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid (CID 39869993) is 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)cs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YPGXXQWBQAXFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-2-3-7(13-5)8-10-6(4-14-8)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid?
2-(5-methylfuran-2-yl)-1,3-thiazole-4-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 2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 39869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).