2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

C19H17N5OS2 — CID 24607937

IUPAC2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(C)Sc3n[nH]c(/C=C/c4cccs4)n3)o2)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-5-7-14(8-6-12)18-23-22-17(25-18)13(2)27-19-20-16(21-24-19)10-9-15-4-3-11-26-15/h3-11,13H,1-2H3,(H,20,21,24)/b10-9+
InChIKeyOABZGEMBQRCLMY-MDZDMXLPSA-N
MW395.51 g/mol
LogP5.25
Rot. Bonds6

About 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 24607937) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID24607937
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(C)Sc3n[nH]c(/C=C/c4cccs4)n3)o2)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-5-7-14(8-6-12)18-23-22-17(25-18)13(2)27-19-20-16(21-24-19)10-9-15-4-3-11-26-15/h3-11,13H,1-2H3,(H,20,21,24)/b10-9+
InChIKeyOABZGEMBQRCLMY-MDZDMXLPSA-N
XLogP5.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-[[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 18145501
3-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 45281325
2-[1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807372
2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17461931
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24607940
2-(4-methylphenyl)-5-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78812077
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-(4-nitrophenyl)-5-[(1S)-1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 7715395
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
3-(2-methylfuran-3-yl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,2,4-triazol-4-amine
CID 51209297
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (CID 24607937) is 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C(C)Sc3n[nH]c(/C=C/c4cccs4)n3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is OABZGEMBQRCLMY-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-5-7-14(8-6-12)18-23-22-17(25-18)13(2)27-19-20-16(21-24-19)10-9-15-4-3-11-26-15/h3-11,13H,1-2H3,(H,20,21,24)/b10-9+.
What are the key properties of 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 395.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[1-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24607937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).