3-thiophen-2-ylthieno[2,3-e]oxazin-4-one

C10H5NO2S2 — CID 132919308

IUPAC3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
SMILESO=c1c(-c2cccs2)noc2ccsc12
InChIInChI=1S/C10H5NO2S2/c12-9-8(7-2-1-4-14-7)11-13-6-3-5-15-10(6)9/h1-5H
InChIKeyLYEOIVSYIWTUKO-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.98
Rot. Bonds1

About 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one

3-thiophen-2-ylthieno[2,3-e]oxazin-4-one (PubChem CID 132919308) has the molecular formula C10H5NO2S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one.

Molecular Properties

Compound Name3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
PubChem CID132919308
Molecular FormulaC10H5NO2S2
Molecular Weight235.29 g/mol
Exact Mass234.98
IUPAC Name3-thiophen-2-ylthieno[2,3-e]oxazin-4-one
SMILESO=c1c(-c2cccs2)noc2ccsc12
InChIInChI=1S/C10H5NO2S2/c12-9-8(7-2-1-4-14-7)11-13-6-3-5-15-10(6)9/h1-5H
InChIKeyLYEOIVSYIWTUKO-UHFFFAOYSA-N
XLogP2.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
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3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
3-(4-propan-2-ylperoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 142654196
5-(3-methylbut-2-enoylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142773910
N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
CID 24971425
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one?
The IUPAC name of 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one (CID 132919308) is 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one.
What is the SMILES notation for 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one?
The canonical SMILES for 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one is O=c1c(-c2cccs2)noc2ccsc12.
What is the InChIKey of 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one?
The InChIKey is LYEOIVSYIWTUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2S2/c12-9-8(7-2-1-4-14-7)11-13-6-3-5-15-10(6)9/h1-5H.
What are the key properties of 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one?
3-thiophen-2-ylthieno[2,3-e]oxazin-4-one has a molecular weight of 235.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylthieno[2,3-e]oxazin-4-one is sourced from PubChem (CID 132919308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).