4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine

C12H16N4OS — CID 66235085

IUPAC4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
SMILESCC(N)CCSCc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4OS/c1-9(13)5-7-18-8-11-15-12(16-17-11)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8,13H2,1H3
InChIKeyOEKPDFUVSIYKLJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.10
Rot. Bonds6

About 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine

4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine (PubChem CID 66235085) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
PubChem CID66235085
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
SMILESCC(N)CCSCc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H16N4OS/c1-9(13)5-7-18-8-11-15-12(16-17-11)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8,13H2,1H3
InChIKeyOEKPDFUVSIYKLJ-UHFFFAOYSA-N
XLogP2.10
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine with MolForge

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Related Compounds

2-methyl-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 64917118
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
2-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 81223443
3-methyl-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43302926
4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468949
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678785
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
CID 66233462
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 126775001

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine (CID 66235085) is 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine is CC(N)CCSCc1nc(-c2ccccn2)no1.
What is the InChIKey of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine?
The InChIKey is OEKPDFUVSIYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(13)5-7-18-8-11-15-12(16-17-11)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8,13H2,1H3.
What are the key properties of 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine?
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66235085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).