2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one

C13H9NO2S — CID 1485388

IUPAC2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3ccsc3c(=O)o2)cc1
InChIInChI=1S/C13H9NO2S/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(15)16-12/h2-7H,1H3
InChIKeyBDOAUTCNEOWPNR-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.22
Rot. Bonds1

About 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one

2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one (PubChem CID 1485388) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one
PubChem CID1485388
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3ccsc3c(=O)o2)cc1
InChIInChI=1S/C13H9NO2S/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(15)16-12/h2-7H,1H3
InChIKeyBDOAUTCNEOWPNR-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one (CID 1485388) is 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one is Cc1ccc(-c2nc3ccsc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
The InChIKey is BDOAUTCNEOWPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-2-4-9(5-3-8)12-14-10-6-7-17-11(10)13(15)16-12/h2-7H,1H3.
What are the key properties of 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one?
2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-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 2-(4-methylphenyl)thieno[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 1485388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).