1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione

C13H9NO3S — CID 11821306

IUPAC1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2)c2ccsc12
InChIInChI=1S/C13H9NO3S/c15-12-11-10(6-7-18-11)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyGKVXOWMXYRQAIP-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.06
Rot. Bonds2

About 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione

1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione (PubChem CID 11821306) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
PubChem CID11821306
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Name1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccccc2)c2ccsc12
InChIInChI=1S/C13H9NO3S/c15-12-11-10(6-7-18-11)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyGKVXOWMXYRQAIP-UHFFFAOYSA-N
XLogP2.06
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione (CID 11821306) is 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione is O=c1oc(=O)n(Cc2ccccc2)c2ccsc12.
What is the InChIKey of 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione?
The InChIKey is GKVXOWMXYRQAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c15-12-11-10(6-7-18-11)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione?
1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione has a molecular weight of 259.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylthieno[3,2-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 11821306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).