2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole

C17H14N4O2S2 — CID 7715724

IUPAC2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1
InChIInChI=1S/C17H14N4O2S2/c1-10-6-3-4-7-12(10)15-19-21-17(23-15)25-11(2)14-18-20-16(22-14)13-8-5-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeySQVBCDKHVPVSON-NSHDSACASA-N
MW370.46 g/mol
LogP5.01
Rot. Bonds5

About 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole

2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 7715724) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
PubChem CID7715724
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1
InChIInChI=1S/C17H14N4O2S2/c1-10-6-3-4-7-12(10)15-19-21-17(23-15)25-11(2)14-18-20-16(22-14)13-8-5-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeySQVBCDKHVPVSON-NSHDSACASA-N
XLogP5.01
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46544298
2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7734454
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
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
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
(2S)-N-(2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592979
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 102554601
2-[(1R)-1-(3-methoxyphenyl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 39044732
3-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 45281325
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-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41136677

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole (CID 7715724) is 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is SQVBCDKHVPVSON-NSHDSACASA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10-6-3-4-7-12(10)15-19-21-17(23-15)25-11(2)14-18-20-16(22-14)13-8-5-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 370.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 7715724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).