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

C13H9NO3S — CID 5420834

IUPAC7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1-c1cscn1
InChIInChI=1S/C13H9NO3S/c1-7-12(10-5-18-6-14-10)13(16)9-3-2-8(15)4-11(9)17-7/h2-6,15H,1H3
InChIKeyVDUYGHUXKAQBOW-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.93
Rot. Bonds1

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

7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one (PubChem CID 5420834) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
PubChem CID5420834
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1-c1cscn1
InChIInChI=1S/C13H9NO3S/c1-7-12(10-5-18-6-14-10)13(16)9-3-2-8(15)4-11(9)17-7/h2-6,15H,1H3
InChIKeyVDUYGHUXKAQBOW-UHFFFAOYSA-N
XLogP2.93
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one (CID 5420834) is 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one is Cc1oc2cc(O)ccc2c(=O)c1-c1cscn1.
What is the InChIKey of 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is VDUYGHUXKAQBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-7-12(10-5-18-6-14-10)13(16)9-3-2-8(15)4-11(9)17-7/h2-6,15H,1H3.
What are the key properties of 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one?
7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 259.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 5420834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).