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

C14H11NO2S — CID 142841478

IUPAC7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1
InChIInChI=1S/C14H11NO2S/c1-8-3-4-10-6-11(12-7-18-9(2)15-12)14(16)17-13(10)5-8/h3-7H,1-2H3
InChIKeyWGXFMOPPXSIUKF-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.53
Rot. Bonds1

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

7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 142841478) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
PubChem CID142841478
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1
InChIInChI=1S/C14H11NO2S/c1-8-3-4-10-6-11(12-7-18-9(2)15-12)14(16)17-13(10)5-8/h3-7H,1-2H3
InChIKeyWGXFMOPPXSIUKF-UHFFFAOYSA-N
XLogP3.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.53
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

3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
CID 29147891
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687769
6,8-dibromo-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 1111914
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
7-(diethylamino)-3-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 136748921
3-(2-chloro-7-methylquinolin-3-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2840096
7-methyl-3-(4-phenyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687746
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one (CID 142841478) is 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is Cc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1.
What is the InChIKey of 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is WGXFMOPPXSIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-3-4-10-6-11(12-7-18-9(2)15-12)14(16)17-13(10)5-8/h3-7H,1-2H3.
What are the key properties of 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one?
7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 257.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 142841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).