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

C12H13N3O3S2 — CID 865186

IUPAC1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c16-10(15-3-5-17-6-4-15)8-20-12-14-13-11(18-12)9-2-1-7-19-9/h1-2,7H,3-6,8H2
InChIKeyUBKMUCHKXCSEEB-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.75
Rot. Bonds4

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

1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 865186) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID865186
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1
InChIInChI=1S/C12H13N3O3S2/c16-10(15-3-5-17-6-4-15)8-20-12-14-13-11(18-12)9-2-1-7-19-9/h1-2,7H,3-6,8H2
InChIKeyUBKMUCHKXCSEEB-UHFFFAOYSA-N
XLogP1.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 865186) is 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is UBKMUCHKXCSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-10(15-3-5-17-6-4-15)8-20-12-14-13-11(18-12)9-2-1-7-19-9/h1-2,7H,3-6,8H2.
What are the key properties of 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 865186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).