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

C13H9NO2S — CID 134989767

IUPAC4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESCc1c(-c2nccs2)c(=O)oc2ccccc12
InChIInChI=1S/C13H9NO2S/c1-8-9-4-2-3-5-10(9)16-13(15)11(8)12-14-6-7-17-12/h2-7H,1H3
InChIKeyYIXVRRCHNQBIPI-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.22
Rot. Bonds1

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

4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one (PubChem CID 134989767) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one
PubChem CID134989767
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one
SMILESCc1c(-c2nccs2)c(=O)oc2ccccc12
InChIInChI=1S/C13H9NO2S/c1-8-9-4-2-3-5-10(9)16-13(15)11(8)12-14-6-7-17-12/h2-7H,1H3
InChIKeyYIXVRRCHNQBIPI-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 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one (CID 134989767) is 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one is Cc1c(-c2nccs2)c(=O)oc2ccccc12.
What is the InChIKey of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is YIXVRRCHNQBIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-9-4-2-3-5-10(9)16-13(15)11(8)12-14-6-7-17-12/h2-7H,1H3.
What are the key properties of 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one?
4-methyl-3-(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 4-methyl-3-(1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 134989767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).