2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

C13H10N2OS2 — CID 646210

IUPAC2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10N2OS2/c1-2-5-10(6-3-1)9-18-13-15-14-12(16-13)11-7-4-8-17-11/h1-8H,9H2
InChIKeyCMTNYXHIMNMZNX-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.09
Rot. Bonds4

About 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 646210) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID646210
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(CSc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10N2OS2/c1-2-5-10(6-3-1)9-18-13-15-14-12(16-13)11-7-4-8-17-11/h1-8H,9H2
InChIKeyCMTNYXHIMNMZNX-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
CID 24950842
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 2562819
2-[(2,5-Dibromo-3-thienyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 2744468
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl sulfide
CID 1484133
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2,2,2-Trifluoro-1-(5-(5-p-tolyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44562605
2,2,2-Trifluoro-1-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
1-Phenyl-2-((5-(3-thienylmethyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 2744194
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 646210) is 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is c1ccc(CSc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is CMTNYXHIMNMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-2-5-10(6-3-1)9-18-13-15-14-12(16-13)11-7-4-8-17-11/h1-8H,9H2.
What are the key properties of 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 274.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 646210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).