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

C14H11NO3S — CID 5310837

IUPAC7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCc1csc(-c2coc3cc(O)cc(C)c3c2=O)n1
InChIInChI=1S/C14H11NO3S/c1-7-3-9(16)4-11-12(7)13(17)10(5-18-11)14-15-8(2)6-19-14/h3-6,16H,1-2H3
InChIKeyNQLIVLASGOOYQX-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds1

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

7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (PubChem CID 5310837) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
PubChem CID5310837
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
SMILESCc1csc(-c2coc3cc(O)cc(C)c3c2=O)n1
InChIInChI=1S/C14H11NO3S/c1-7-3-9(16)4-11-12(7)13(17)10(5-18-11)14-15-8(2)6-19-14/h3-6,16H,1-2H3
InChIKeyNQLIVLASGOOYQX-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 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one (CID 5310837) is 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is Cc1csc(-c2coc3cc(O)cc(C)c3c2=O)n1.
What is the InChIKey of 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
The InChIKey is NQLIVLASGOOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-7-3-9(16)4-11-12(7)13(17)10(5-18-11)14-15-8(2)6-19-14/h3-6,16H,1-2H3.
What are the key properties of 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one?
7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-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 7-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one is sourced from PubChem (CID 5310837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).