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

C14H11NO3S — CID 5403337

IUPAC5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1cc(O)c2c(=O)c(-c3csc(C)n3)coc2c1
InChIInChI=1S/C14H11NO3S/c1-7-3-11(16)13-12(4-7)18-5-9(14(13)17)10-6-19-8(2)15-10/h3-6,16H,1-2H3
InChIKeyPHUIEDUCLXOPKN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds1

About 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 5403337) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID5403337
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1cc(O)c2c(=O)c(-c3csc(C)n3)coc2c1
InChIInChI=1S/C14H11NO3S/c1-7-3-11(16)13-12(4-7)18-5-9(14(13)17)10-6-19-8(2)15-10/h3-6,16H,1-2H3
InChIKeyPHUIEDUCLXOPKN-UHFFFAOYSA-N
XLogP3.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (CID 5403337) is 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is Cc1cc(O)c2c(=O)c(-c3csc(C)n3)coc2c1.
What is the InChIKey of 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is PHUIEDUCLXOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-7-3-11(16)13-12(4-7)18-5-9(14(13)17)10-6-19-8(2)15-10/h3-6,16H,1-2H3.
What are the key properties of 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 273.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 5403337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).