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

C9H7NO3S — CID 7174485

IUPAC2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccco2)sc1C(=O)O
InChIInChI=1S/C9H7NO3S/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyDMIJUNDFNWUZNL-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

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

2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 7174485) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID7174485
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccco2)sc1C(=O)O
InChIInChI=1S/C9H7NO3S/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyDMIJUNDFNWUZNL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 7174485) is 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccco2)sc1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DMIJUNDFNWUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-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-(furan-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 7174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).