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

C14H11NO3S — CID 657928

IUPAC6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nc(C)cs3)cc2c1
InChIInChI=1S/C14H11NO3S/c1-8-7-19-13(15-8)11-6-9-5-10(17-2)3-4-12(9)18-14(11)16/h3-7H,1-2H3
InChIKeyJRPVSVZSUPSYOM-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.23
Rot. Bonds2

About 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 657928) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID657928
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nc(C)cs3)cc2c1
InChIInChI=1S/C14H11NO3S/c1-8-7-19-13(15-8)11-6-9-5-10(17-2)3-4-12(9)18-14(11)16/h3-7H,1-2H3
InChIKeyJRPVSVZSUPSYOM-UHFFFAOYSA-N
XLogP3.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 163716006
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
CID 110167873
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
CID 4006091
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-methoxychromen-2-one
CID 20904206
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
3-[5-(5-chloro-2-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-methoxychromen-2-one
CID 3304590
3-[5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]-6-methoxychromen-2-one
CID 3309785
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 136531235

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 657928) is 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is COc1ccc2oc(=O)c(-c3nc(C)cs3)cc2c1.
What is the InChIKey of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is JRPVSVZSUPSYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-8-7-19-13(15-8)11-6-9-5-10(17-2)3-4-12(9)18-14(11)16/h3-7H,1-2H3.
What are the key properties of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 273.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 657928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).