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

C13H9NO3S — CID 5408870

IUPAC7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1nc(-c2cc3ccc(O)cc3oc2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3
InChIKeyMGKNXGCKSSSBOT-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.93
Rot. Bonds1

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

7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 5408870) 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-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
PubChem CID5408870
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1nc(-c2cc3ccc(O)cc3oc2=O)cs1
InChIInChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3
InChIKeyMGKNXGCKSSSBOT-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
6-Hexyl-7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 135500725
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
7-(2-Isopropyl-thiazol-4-ylmethoxy)-3,4-dimethyl-chromen-2-one
CID 15066947
2-methyl-3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-4H-chromen-7-yl acetate
CID 984073
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-2H-chromen-2-one
CID 657928
2-(4-Methylcyclohexylidene)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
CID 1121556
2-Hydroxy-4-methoxybenzoic acid (2-methyl-4-thiazolyl)methyl ester
CID 2475805
Ethyl 2-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 5690367
(E)-3-(2-methoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 5955124

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (CID 5408870) is 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is Cc1nc(-c2cc3ccc(O)cc3oc2=O)cs1.
What is the InChIKey of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is MGKNXGCKSSSBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-14-11(6-18-7)10-4-8-2-3-9(15)5-12(8)17-13(10)16/h2-6,15H,1H3.
What are the key properties of 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
7-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 7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 5408870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).