2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

C15H11N5OS2 — CID 7857109

IUPAC2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3n[nH]c(-c4cccs4)n3)o2)cc1
InChIInChI=1S/C15H11N5OS2/c1-2-5-10(6-3-1)14-19-17-12(21-14)9-23-15-16-13(18-20-15)11-7-4-8-22-11/h1-8H,9H2,(H,16,18,20)
InChIKeyOEPZVCLWRTZNLE-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.88
Rot. Bonds5

About 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 7857109) has the molecular formula C15H11N5OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID7857109
Molecular FormulaC15H11N5OS2
Molecular Weight341.42 g/mol
Exact Mass341.04
IUPAC Name2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3n[nH]c(-c4cccs4)n3)o2)cc1
InChIInChI=1S/C15H11N5OS2/c1-2-5-10(6-3-1)14-19-17-12(21-14)9-23-15-16-13(18-20-15)11-7-4-8-22-11/h1-8H,9H2,(H,16,18,20)
InChIKeyOEPZVCLWRTZNLE-UHFFFAOYSA-N
XLogP3.88
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 8707948
2-(furan-2-yl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8569855
2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644789
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 1375449
3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857218
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
3-(3-methoxyphenyl)-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9361161
3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
CID 7857259
1-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7457488
2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 6457752

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 7857109) is 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(CSc3n[nH]c(-c4cccs4)n3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is OEPZVCLWRTZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS2/c1-2-5-10(6-3-1)14-19-17-12(21-14)9-23-15-16-13(18-20-15)11-7-4-8-22-11/h1-8H,9H2,(H,16,18,20).
What are the key properties of 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 341.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7857109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).