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

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Related Compounds

5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5403337
methyl [6-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] carbonate
CID 23736537
2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetyl]amino]pentanoic acid
CID 3763110
7-hydroxy-3-methylchromen-4-one
CID 13419593
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724
3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
CID 71483517
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
7-hydroxy-3-[2,4,5-tri(propan-2-yl)phenyl]chromen-4-one
CID 11024901
8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 12869161
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
CID 29147891
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953

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).