7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

C13H9NO3S — CID 5408024

IUPAC7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1nc(-c2coc3cc(O)ccc3c2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-5-17-12-4-8(15)2-3-9(12)13(10)16/h2-6,15H,1H3
InChIKeyGXXLJEJKWABOLT-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.93
Rot. Bonds1

About 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 5408024) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID5408024
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1nc(-c2coc3cc(O)ccc3c2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-5-17-12-4-8(15)2-3-9(12)13(10)16/h2-6,15H,1H3
InChIKeyGXXLJEJKWABOLT-UHFFFAOYSA-N
XLogP2.93
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one 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 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (CID 5408024) is 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is Cc1nc(-c2coc3cc(O)ccc3c2=O)cs1.
What is the InChIKey of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is GXXLJEJKWABOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-5-17-12-4-8(15)2-3-9(12)13(10)16/h2-6,15H,1H3.
What are the key properties of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 259.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 5408024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).