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

C14H11NO3S — CID 658167

IUPAC7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1
InChIInChI=1S/C14H11NO3S/c1-8-7-19-14(15-8)11-6-18-12-5-9(17-2)3-4-10(12)13(11)16/h3-7H,1-2H3
InChIKeyYNXUOZQWIMSWGH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.23
Rot. Bonds2

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

7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 658167) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID658167
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1
InChIInChI=1S/C14H11NO3S/c1-8-7-19-14(15-8)11-6-18-12-5-9(17-2)3-4-10(12)13(11)16/h3-7H,1-2H3
InChIKeyYNXUOZQWIMSWGH-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

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Related Compounds

3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-4H-chromen-7-yl acetate
CID 740769
6-Ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4H-chromen-4-one
CID 5392003
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl acetate
CID 912914
7-ethoxy-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one
CID 933735
3-(4-Methyl-2-thiazolyl)-5-methyl-7-hydroxychromone
CID 5310837
(3,5-Dimethoxyphenyl)(2-phenyl-4-thiazolyl)methanone
CID 25258606
Cambridge id 6875303
CID 5734207
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
CID 24867672
ethyl {[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate
CID 1082196
Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester
CID 1858487
2-methyl-3-(4-methylthiazol-2-yl)-4-oxo-6-propyl-4H-chromen-7-yl acetate
CID 984073
{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetic acid
CID 658119

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (CID 658167) is 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1.
What is the InChIKey of 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is YNXUOZQWIMSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-8-7-19-14(15-8)11-6-18-12-5-9(17-2)3-4-10(12)13(11)16/h3-7H,1-2H3.
What are the key properties of 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-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 7-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).