2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid

C15H11NO5S — CID 658119

IUPAC2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid
SMILESCc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1
InChIInChI=1S/C15H11NO5S/c1-8-16-12(7-22-8)11-5-21-13-4-9(20-6-14(17)18)2-3-10(13)15(11)19/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyIEQDTUFJDFCHLA-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.69
Rot. Bonds4

About 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid

2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid (PubChem CID 658119) has the molecular formula C15H11NO5S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid
PubChem CID658119
Molecular FormulaC15H11NO5S
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid
SMILESCc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1
InChIInChI=1S/C15H11NO5S/c1-8-16-12(7-22-8)11-5-21-13-4-9(20-6-14(17)18)2-3-10(13)15(11)19/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyIEQDTUFJDFCHLA-UHFFFAOYSA-N
XLogP2.69
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic 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-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid?
The IUPAC name of 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid (CID 658119) is 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid?
The canonical SMILES for 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid is Cc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1.
What is the InChIKey of 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid?
The InChIKey is IEQDTUFJDFCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5S/c1-8-16-12(7-22-8)11-5-21-13-4-9(20-6-14(17)18)2-3-10(13)15(11)19/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid?
2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid has a molecular weight of 317.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetic acid is sourced from PubChem (CID 658119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).