5-thiophen-2-yl-1,3,4-oxadiazol-2-olate

C6H3N2O2S- — CID 51401385

IUPAC5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
SMILES[O-]c1nnc(-c2cccs2)o1
InChIInChI=1S/C6H4N2O2S/c9-6-8-7-5(10-6)4-2-1-3-11-4/h1-3H,(H,8,9)/p-1
InChIKeyCDCGUELILIFLTA-UHFFFAOYSA-M
MW167.17 g/mol
LogP0.87
Rot. Bonds1

About 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate

5-thiophen-2-yl-1,3,4-oxadiazol-2-olate (PubChem CID 51401385) has the molecular formula C6H3N2O2S- and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate.

Molecular Properties

Compound Name5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
PubChem CID51401385
Molecular FormulaC6H3N2O2S-
Molecular Weight167.17 g/mol
Exact Mass166.99
IUPAC Name5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
SMILES[O-]c1nnc(-c2cccs2)o1
InChIInChI=1S/C6H4N2O2S/c9-6-8-7-5(10-6)4-2-1-3-11-4/h1-3H,(H,8,9)/p-1
InChIKeyCDCGUELILIFLTA-UHFFFAOYSA-M
XLogP0.87
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)morpholine
CID 100657080
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9051645
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 75521986
2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 6011073
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate?
The IUPAC name of 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate (CID 51401385) is 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate.
What is the SMILES notation for 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate?
The canonical SMILES for 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate is [O-]c1nnc(-c2cccs2)o1.
What is the InChIKey of 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate?
The InChIKey is CDCGUELILIFLTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O2S/c9-6-8-7-5(10-6)4-2-1-3-11-4/h1-3H,(H,8,9)/p-1.
What are the key properties of 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate?
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate has a molecular weight of 167.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,3,4-oxadiazol-2-olate is sourced from PubChem (CID 51401385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).