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

C13H9NO3S — CID 54689107

IUPAC4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1nc(-c2c(O)c3ccccc3oc2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-9(6-18-7)11-12(15)8-4-2-3-5-10(8)17-13(11)16/h2-6,15H,1H3
InChIKeyGVZULXHZLOMJQF-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.93
Rot. Bonds1

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

4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 54689107) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
PubChem CID54689107
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1nc(-c2c(O)c3ccccc3oc2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-9(6-18-7)11-12(15)8-4-2-3-5-10(8)17-13(11)16/h2-6,15H,1H3
InChIKeyGVZULXHZLOMJQF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

Cyclopentylidene-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-acetonitrile
CID 717089
3-(4-methylthiazol-2-yl)-7-((perfluorophenyl)methoxy)-2H-chromen-2-one
CID 1584773
7-Hydroxy-3-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-chromen-2-one
CID 135510427
2-[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
CID 389225
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 657928
2-(4-Methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile
CID 1121556
Ethyl 2-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 5690367
(2E)-3-(2-Methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-YL)-1,3-thiazol-2-YL]prop-2-enenitrile
CID 5955124
(2E)-3-(4-Fluorophenyl)-2-[4-(6-methoxy-2-oxo-2H-chromen-3-YL)-1,3-thiazol-2-YL]prop-2-enenitrile
CID 5994004
6-Hexyl-7-hydroxy-3-[2-(2-phenylethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 6798868
(2Z)-3-(4-Hydroxy-3-methoxyphenyl)-2-[4-(2-oxo-2H-chromen-3-YL)-1,3-thiazol-2-YL]prop-2-enenitrile
CID 135419104
(E)-3-(4-Hydroxy-3-methoxy-phenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-thiazol-2-yl]-acrylonitrile
CID 135521492

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (CID 54689107) is 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is Cc1nc(-c2c(O)c3ccccc3oc2=O)cs1.
What is the InChIKey of 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is GVZULXHZLOMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-14-9(6-18-7)11-12(15)8-4-2-3-5-10(8)17-13(11)16/h2-6,15H,1H3.
What are the key properties of 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-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 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 54689107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).