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

C13H9NO2S — CID 780517

IUPAC3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCc1csc(-c2cc3ccccc3oc2=O)n1
InChIInChI=1S/C13H9NO2S/c1-8-7-17-12(14-8)10-6-9-4-2-3-5-11(9)16-13(10)15/h2-7H,1H3
InChIKeyLNYKUZYWYGPYSU-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.22
Rot. Bonds1

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

3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 780517) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID780517
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCc1csc(-c2cc3ccccc3oc2=O)n1
InChIInChI=1S/C13H9NO2S/c1-8-7-17-12(14-8)10-6-9-4-2-3-5-11(9)16-13(10)15/h2-7H,1H3
InChIKeyLNYKUZYWYGPYSU-UHFFFAOYSA-N
XLogP3.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 780517) is 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is Cc1csc(-c2cc3ccccc3oc2=O)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is LNYKUZYWYGPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-7-17-12(14-8)10-6-9-4-2-3-5-11(9)16-13(10)15/h2-7H,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?
3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 243.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 780517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).