6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

C15H13NO2S — CID 163716006

IUPAC6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCc1csc(-c2cc3cc(C)c(C)cc3oc2=O)n1
InChIInChI=1S/C15H13NO2S/c1-8-4-11-6-12(14-16-10(3)7-19-14)15(17)18-13(11)5-9(8)2/h4-7H,1-3H3
InChIKeyJEXXTMVPTSJFJS-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.84
Rot. Bonds1

About 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 163716006) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID163716006
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCc1csc(-c2cc3cc(C)c(C)cc3oc2=O)n1
InChIInChI=1S/C15H13NO2S/c1-8-4-11-6-12(14-16-10(3)7-19-14)15(17)18-13(11)5-9(8)2/h4-7H,1-3H3
InChIKeyJEXXTMVPTSJFJS-UHFFFAOYSA-N
XLogP3.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 657928
3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622539
6,8-dichloro-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 780522
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
CID 29147891
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 142841478
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
7-hydroxy-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 158909644
6-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,3-dimethylfuro[3,2-g]chromen-7-one
CID 29135884

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 163716006) is 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is Cc1csc(-c2cc3cc(C)c(C)cc3oc2=O)n1.
What is the InChIKey of 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is JEXXTMVPTSJFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-8-4-11-6-12(14-16-10(3)7-19-14)15(17)18-13(11)5-9(8)2/h4-7H,1-3H3.
What are the key properties of 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 163716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).