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

C12H9NO2S2 — CID 744713

IUPAC2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1nc2scc(-c3cccs3)c2c(=O)o1
InChIInChI=1S/C12H9NO2S2/c1-2-9-13-11-10(12(14)15-9)7(6-17-11)8-4-3-5-16-8/h3-6H,2H2,1H3
InChIKeyRYECSJPTPDCARF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.54
Rot. Bonds2

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

2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 744713) has the molecular formula C12H9NO2S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID744713
Molecular FormulaC12H9NO2S2
Molecular Weight263.34 g/mol
Exact Mass263.01
IUPAC Name2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1nc2scc(-c3cccs3)c2c(=O)o1
InChIInChI=1S/C12H9NO2S2/c1-2-9-13-11-10(12(14)15-9)7(6-17-11)8-4-3-5-16-8/h3-6H,2H2,1H3
InChIKeyRYECSJPTPDCARF-UHFFFAOYSA-N
XLogP3.54
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
1-[4-(4-oxo-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1354059
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
2-[(4-ethylpyridin-1-ium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8857409
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
2-(2-bromoethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065049
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 47025696
2-(2-methylpropylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7587993
3-ethyl-2-(3-methylsulfonylpropylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 86887711
3-ethyl-2-piperazin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 39163694
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 744713) is 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is CCc1nc2scc(-c3cccs3)c2c(=O)o1.
What is the InChIKey of 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is RYECSJPTPDCARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S2/c1-2-9-13-11-10(12(14)15-9)7(6-17-11)8-4-3-5-16-8/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 263.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 744713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).