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

C11H7NO2S2 — CID 804822

IUPAC2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1nc2scc(-c3cccs3)c2c(=O)o1
InChIInChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3
InChIKeyDGPHFMOEGCZWOK-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.29
Rot. Bonds1

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

2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 804822) has the molecular formula C11H7NO2S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID804822
Molecular FormulaC11H7NO2S2
Molecular Weight249.32 g/mol
Exact Mass248.99
IUPAC Name2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
SMILESCc1nc2scc(-c3cccs3)c2c(=O)o1
InChIInChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3
InChIKeyDGPHFMOEGCZWOK-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-(thiophen-2-yl)thiophene-3-carboxylate
CID 718227
Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carboxylate
CID 711175
5-(2,4-Dimethylphenyl)-2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 915989
2-(2-Fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
CID 947436
6-methyl-2-(3-methylphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
CID 950065
2-(2-Fluorophenyl)-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
CID 876961
Ethyl 2-amino-4-p-tolylthiophene-3-carboxylate
CID 705801
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-Benzylsulfanyl-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-4-one
CID 10518548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one (CID 804822) is 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is Cc1nc2scc(-c3cccs3)c2c(=O)o1.
What is the InChIKey of 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is DGPHFMOEGCZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one?
2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 249.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 804822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).