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

C15H13NO3S — CID 5392003

IUPAC6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O
InChIInChI=1S/C15H13NO3S/c1-3-9-4-10-13(5-12(9)17)19-6-11(14(10)18)15-16-8(2)7-20-15/h4-7,17H,3H2,1-2H3
InChIKeyKYKJGMTXQIEDNW-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.49
Rot. Bonds2

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

6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 5392003) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID5392003
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O
InChIInChI=1S/C15H13NO3S/c1-3-9-4-10-13(5-12(9)17)19-6-11(14(10)18)15-16-8(2)7-20-15/h4-7,17H,3H2,1-2H3
InChIKeyKYKJGMTXQIEDNW-UHFFFAOYSA-N
XLogP3.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (CID 5392003) is 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O.
What is the InChIKey of 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is KYKJGMTXQIEDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-9-4-10-13(5-12(9)17)19-6-11(14(10)18)15-16-8(2)7-20-15/h4-7,17H,3H2,1-2H3.
What are the key properties of 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one has a molecular weight of 287.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 5392003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).