6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine

C12H16N4OS — CID 43301137

IUPAC6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
SMILESCCCCc1noc(CSc2ccc(N)cn2)n1
InChIInChI=1S/C12H16N4OS/c1-2-3-4-10-15-11(17-16-10)8-18-12-6-5-9(13)7-14-12/h5-7H,2-4,8,13H2,1H3
InChIKeyPZGPTAFULYPSNM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.68
Rot. Bonds6

About 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine

6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 43301137) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
PubChem CID43301137
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
SMILESCCCCc1noc(CSc2ccc(N)cn2)n1
InChIInChI=1S/C12H16N4OS/c1-2-3-4-10-15-11(17-16-10)8-18-12-6-5-9(13)7-14-12/h5-7H,2-4,8,13H2,1H3
InChIKeyPZGPTAFULYPSNM-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine (CID 43301137) is 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine is CCCCc1noc(CSc2ccc(N)cn2)n1.
What is the InChIKey of 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is PZGPTAFULYPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-3-4-10-15-11(17-16-10)8-18-12-6-5-9(13)7-14-12/h5-7H,2-4,8,13H2,1H3.
What are the key properties of 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine?
6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 264.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).