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

C6H5N3OS — CID 16767328

IUPAC5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccs2)o1
InChIInChI=1S/C6H5N3OS/c7-6-9-8-5(10-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKeyXNRKGPFTYJTUJZ-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.38
Rot. Bonds1

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

5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 16767328) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID16767328
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccs2)o1
InChIInChI=1S/C6H5N3OS/c7-6-9-8-5(10-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKeyXNRKGPFTYJTUJZ-UHFFFAOYSA-N
XLogP1.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 4786816
5-(3-fluorothiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 130594136
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
6-methyl-2-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylpyrimidin-4-amine
CID 95153739
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
3-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 45281325
3-fluoro-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43303654
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 16767328) is 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XNRKGPFTYJTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-6-9-8-5(10-6)4-2-1-3-11-4/h1-3H,(H2,7,9).
What are the key properties of 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 167.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 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-amine is sourced from PubChem (CID 16767328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).