2-phenylthieno[3,2-d][1,3]oxazin-4-one

C12H7NO2S — CID 1485381

IUPAC2-phenylthieno[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccsc12
InChIInChI=1S/C12H7NO2S/c14-12-10-9(6-7-16-10)13-11(15-12)8-4-2-1-3-5-8/h1-7H
InChIKeyDWKOESBNQVDIFB-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.92
Rot. Bonds1

About 2-phenylthieno[3,2-d][1,3]oxazin-4-one

2-phenylthieno[3,2-d][1,3]oxazin-4-one (PubChem CID 1485381) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-phenylthieno[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-phenylthieno[3,2-d][1,3]oxazin-4-one
PubChem CID1485381
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name2-phenylthieno[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccsc12
InChIInChI=1S/C12H7NO2S/c14-12-10-9(6-7-16-10)13-11(15-12)8-4-2-1-3-5-8/h1-7H
InChIKeyDWKOESBNQVDIFB-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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylthieno[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 2-phenylthieno[3,2-d][1,3]oxazin-4-one (CID 1485381) is 2-phenylthieno[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-phenylthieno[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 2-phenylthieno[3,2-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2)nc2ccsc12.
What is the InChIKey of 2-phenylthieno[3,2-d][1,3]oxazin-4-one?
The InChIKey is DWKOESBNQVDIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-12-10-9(6-7-16-10)13-11(15-12)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenylthieno[3,2-d][1,3]oxazin-4-one?
2-phenylthieno[3,2-d][1,3]oxazin-4-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 2-phenylthieno[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 1485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).