2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C19H20N6OS2 — CID 43031628

IUPAC2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCCCc1ccc(-n2nnnc2SC(C)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H20N6OS2/c1-3-4-6-14-8-10-15(11-9-14)25-19(22-23-24-25)28-13(2)17-20-21-18(26-17)16-7-5-12-27-16/h5,7-13H,3-4,6H2,1-2H3
InChIKeyXBMGFDYZBTVWCK-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.97
Rot. Bonds8

About 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 43031628) has the molecular formula C19H20N6OS2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID43031628
Molecular FormulaC19H20N6OS2
Molecular Weight412.54 g/mol
Exact Mass412.11
IUPAC Name2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCCCc1ccc(-n2nnnc2SC(C)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H20N6OS2/c1-3-4-6-14-8-10-15(11-9-14)25-19(22-23-24-25)28-13(2)17-20-21-18(26-17)16-7-5-12-27-16/h5,7-13H,3-4,6H2,1-2H3
InChIKeyXBMGFDYZBTVWCK-UHFFFAOYSA-N
XLogP4.97
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
3-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 38855974
2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9037042
2-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824820
2-thiophen-2-yl-5-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 41143175
3-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 7702702
2-[(1S)-1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41038627
2-[(1R)-1-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9437461
2-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 43031889
4-[5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]tetrazol-1-yl]phenol
CID 51202933
3-(2-fluorophenyl)-5-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7705382
2-[1-(1,5-diphenylimidazol-2-yl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18271549

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 43031628) is 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCCCc1ccc(-n2nnnc2SC(C)c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is XBMGFDYZBTVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS2/c1-3-4-6-14-8-10-15(11-9-14)25-19(22-23-24-25)28-13(2)17-20-21-18(26-17)16-7-5-12-27-16/h5,7-13H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 412.54 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 43031628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).