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

C19H14N2O2S — CID 68979734

IUPAC2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccccc2Cc2ccccc2)nc2sccc12
InChIInChI=1S/C19H14N2O2S/c22-18-15-10-11-24-17(15)21-19(23-18)20-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyCWFCTPPBQOBUGV-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.58
Rot. Bonds4

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

2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 68979734) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID68979734
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccccc2Cc2ccccc2)nc2sccc12
InChIInChI=1S/C19H14N2O2S/c22-18-15-10-11-24-17(15)21-19(23-18)20-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
InChIKeyCWFCTPPBQOBUGV-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one (CID 68979734) is 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one is O=c1oc(Nc2ccccc2Cc2ccccc2)nc2sccc12.
What is the InChIKey of 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is CWFCTPPBQOBUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-15-10-11-24-17(15)21-19(23-18)20-16-9-5-4-8-14(16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one?
2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 334.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 68979734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).