2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H13N3OS2 — CID 102554601

IUPAC2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(SC1=Nc2ccccc2C1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13N3OS2/c1-10(15-18-19-16(20-15)13-7-4-8-21-13)22-14-9-11-5-2-3-6-12(11)17-14/h2-8,10H,9H2,1H3
InChIKeyUMCKLSVRGNDIQS-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.88
Rot. Bonds3

About 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 102554601) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID102554601
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(SC1=Nc2ccccc2C1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H13N3OS2/c1-10(15-18-19-16(20-15)13-7-4-8-21-13)22-14-9-11-5-2-3-6-12(11)17-14/h2-8,10H,9H2,1H3
InChIKeyUMCKLSVRGNDIQS-UHFFFAOYSA-N
XLogP4.88
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 45281325
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-(2-methylphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7715724
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
2-[(1R)-1-(3-methoxyphenyl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 39044732
2-[1-(1,5-diphenylimidazol-2-yl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18271549
4-[4-phenyl-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
CID 27800031
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-thiophen-2-yl-5-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 41143175
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-[(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
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 102554601) is 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CC(SC1=Nc2ccccc2C1)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is UMCKLSVRGNDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-10(15-18-19-16(20-15)13-7-4-8-21-13)22-14-9-11-5-2-3-6-12(11)17-14/h2-8,10H,9H2,1H3.
What are the key properties of 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 327.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3H-indol-2-ylsulfanyl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 102554601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).