2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole

C11H9N3OS2 — CID 1484950

IUPAC2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCSc1nnc(-c2sccc2-n2cccc2)o1
InChIInChI=1S/C11H9N3OS2/c1-16-11-13-12-10(15-11)9-8(4-7-17-9)14-5-2-3-6-14/h2-7H,1H3
InChIKeyVAYNVIQWXSKQEG-UHFFFAOYSA-N
MW263.35 g/mol
LogP3.31
Rot. Bonds3

About 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole

2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 1484950) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID1484950
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCSc1nnc(-c2sccc2-n2cccc2)o1
InChIInChI=1S/C11H9N3OS2/c1-16-11-13-12-10(15-11)9-8(4-7-17-9)14-5-2-3-6-14/h2-7H,1H3
InChIKeyVAYNVIQWXSKQEG-UHFFFAOYSA-N
XLogP3.31
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine
CID 655156
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484970
3-chlorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
CID 1484975
3-(1H-pyrrol-1-yl)-N'-[(Z)-2-thienylmethylidene]-2-thiophenecarbohydrazide
CID 5524528
3-(1H-pyrrol-1-yl)-N'-[(E)-1-(2-thienyl)ethylidene]-2-thiophenecarbohydrazide
CID 5524794
2-(benzylsulfanyl)-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484951
4-chlorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
CID 1484969
2-[(3,5-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484973
methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
CID 522560
2-((Pyridin-2-ylmethyl)thio)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 859903
2-((Pyridin-3-ylmethyl)thio)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 860219
1-(2,5-Dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2128705

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole (CID 1484950) is 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole is CSc1nnc(-c2sccc2-n2cccc2)o1.
What is the InChIKey of 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is VAYNVIQWXSKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-16-11-13-12-10(15-11)9-8(4-7-17-9)14-5-2-3-6-14/h2-7H,1H3.
What are the key properties of 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole?
2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 263.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 1484950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).