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

C12H7NO2S — CID 15325882

IUPAC3-(1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cscn1
InChIInChI=1S/C12H7NO2S/c14-12-9(10-6-16-7-13-10)5-8-3-1-2-4-11(8)15-12/h1-7H
InChIKeyLZJLLXWGOPYXJM-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.92
Rot. Bonds1

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

3-(1,3-thiazol-4-yl)chromen-2-one (PubChem CID 15325882) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)chromen-2-one
PubChem CID15325882
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name3-(1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cscn1
InChIInChI=1S/C12H7NO2S/c14-12-9(10-6-16-7-13-10)5-8-3-1-2-4-11(8)15-12/h1-7H
InChIKeyLZJLLXWGOPYXJM-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.92
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-(1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 3-(1,3-thiazol-4-yl)chromen-2-one (CID 15325882) is 3-(1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 3-(1,3-thiazol-4-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is LZJLLXWGOPYXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-12-9(10-6-16-7-13-10)5-8-3-1-2-4-11(8)15-12/h1-7H.
What are the key properties of 3-(1,3-thiazol-4-yl)chromen-2-one?
3-(1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 229.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 15325882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).