1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C13H15N3O3S2 — CID 46675633

IUPAC1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(-c3cccs3)o2)CCO1
InChIInChI=1S/C13H15N3O3S2/c1-9-7-16(4-5-18-9)11(17)8-21-13-15-14-12(19-13)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQSIJZFKHQXPZHJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 46675633) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID46675633
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCC1CN(C(=O)CSc2nnc(-c3cccs3)o2)CCO1
InChIInChI=1S/C13H15N3O3S2/c1-9-7-16(4-5-18-9)11(17)8-21-13-15-14-12(19-13)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyQSIJZFKHQXPZHJ-UHFFFAOYSA-N
XLogP2.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
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CID 1073185
1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
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1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
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N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
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methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 46675633) is 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is CC1CN(C(=O)CSc2nnc(-c3cccs3)o2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is QSIJZFKHQXPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9-7-16(4-5-18-9)11(17)8-21-13-15-14-12(19-13)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 325.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 46675633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).