7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

C15H13NO4S — CID 740724

IUPAC7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC
InChIInChI=1S/C15H13NO4S/c1-8-16-11(7-21-8)10-6-20-14-9(13(10)17)4-5-12(18-2)15(14)19-3/h4-7H,1-3H3
InChIKeyVEMCOMNZFRXOQE-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.24
Rot. Bonds3

About 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 740724) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID740724
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC
InChIInChI=1S/C15H13NO4S/c1-8-16-11(7-21-8)10-6-20-14-9(13(10)17)4-5-12(18-2)15(14)19-3/h4-7H,1-3H3
InChIKeyVEMCOMNZFRXOQE-UHFFFAOYSA-N
XLogP3.24
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (CID 740724) is 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC.
What is the InChIKey of 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is VEMCOMNZFRXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-8-16-11(7-21-8)10-6-20-14-9(13(10)17)4-5-12(18-2)15(14)19-3/h4-7H,1-3H3.
What are the key properties of 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 303.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 740724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).