2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one

C14H7NO2S3 — CID 827818

IUPAC2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C14H7NO2S3/c16-14-11-8(9-3-1-5-18-9)7-20-13(11)15-12(17-14)10-4-2-6-19-10/h1-7H
InChIKeyHKDFLMCFKQPLFM-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.71
Rot. Bonds2

About 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one

2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 827818) has the molecular formula C14H7NO2S3 and a molecular weight of 317.42 g/mol. Its IUPAC name is 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID827818
Molecular FormulaC14H7NO2S3
Molecular Weight317.42 g/mol
Exact Mass316.96
IUPAC Name2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C14H7NO2S3/c16-14-11-8(9-3-1-5-18-9)7-20-13(11)15-12(17-14)10-4-2-6-19-10/h1-7H
InChIKeyHKDFLMCFKQPLFM-UHFFFAOYSA-N
XLogP4.71
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 827818) is 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is O=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is HKDFLMCFKQPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO2S3/c16-14-11-8(9-3-1-5-18-9)7-20-13(11)15-12(17-14)10-4-2-6-19-10/h1-7H.
What are the key properties of 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 317.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 827818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).