5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one

C12H9NO2S2 — CID 805244

IUPAC5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3cccs3)oc(=O)c2c1C
InChIInChI=1S/C12H9NO2S2/c1-6-7(2)17-11-9(6)12(14)15-10(13-11)8-4-3-5-16-8/h3-5H,1-2H3
InChIKeyCGBFTRSRTDRGBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.59
Rot. Bonds1

About 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one

5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 805244) has the molecular formula C12H9NO2S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID805244
Molecular FormulaC12H9NO2S2
Molecular Weight263.34 g/mol
Exact Mass263.01
IUPAC Name5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1sc2nc(-c3cccs3)oc(=O)c2c1C
InChIInChI=1S/C12H9NO2S2/c1-6-7(2)17-11-9(6)12(14)15-10(13-11)8-4-3-5-16-8/h3-5H,1-2H3
InChIKeyCGBFTRSRTDRGBV-UHFFFAOYSA-N
XLogP3.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 950065
2-Methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 804822
2-(2-Fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
CID 876961
2,5,6-Trimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 384431
5,6-Dimethyl-2-phenyl-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 569471
2,5-Dithiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 827818
2-Ethylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10331933
(5,6-Dimethyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-ylsulfanyl)-acetic acid methyl ester
CID 10517251
2-Benzylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10518548
5,6-Dimethyl-2-methylsulfanyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10728016
Ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
CID 645868
2-Thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 690917

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 805244) is 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is Cc1sc2nc(-c3cccs3)oc(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is CGBFTRSRTDRGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S2/c1-6-7(2)17-11-9(6)12(14)15-10(13-11)8-4-3-5-16-8/h3-5H,1-2H3.
What are the key properties of 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 263.34 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 805244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).