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

C15H12N2O2S2 — CID 2744194

IUPAC1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-13(12-4-2-1-3-5-12)10-21-15-17-16-14(19-15)8-11-6-7-20-9-11/h1-7,9H,8,10H2
InChIKeyDEJORBRQZIXKQM-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.70
Rot. Bonds6

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

1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 2744194) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID2744194
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1
InChIInChI=1S/C15H12N2O2S2/c18-13(12-4-2-1-3-5-12)10-21-15-17-16-14(19-15)8-11-6-7-20-9-11/h1-7,9H,8,10H2
InChIKeyDEJORBRQZIXKQM-UHFFFAOYSA-N
XLogP3.70
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 29132376
CID 859567
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CID 859891
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CID 865192
CID 865192
CID 3988534
CID 3988534
CID 859828
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CID 860218
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CID 2401358
CID 2401358

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 2744194) is 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is DEJORBRQZIXKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-13(12-4-2-1-3-5-12)10-21-15-17-16-14(19-15)8-11-6-7-20-9-11/h1-7,9H,8,10H2.
What are the key properties of 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 316.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[5-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 2744194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).