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

C12H16N4OS — CID 43300189

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nnc(CSc2ncccc2N)o1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-9(17-11)7-18-10-8(13)5-4-6-14-10/h4-6H,7,13H2,1-3H3
InChIKeyPHRLSFHQEZGTRV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.64
Rot. Bonds3

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300189) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
PubChem CID43300189
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nnc(CSc2ncccc2N)o1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-9(17-11)7-18-10-8(13)5-4-6-14-10/h4-6H,7,13H2,1-3H3
InChIKeyPHRLSFHQEZGTRV-UHFFFAOYSA-N
XLogP2.64
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (CID 43300189) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is CC(C)(C)c1nnc(CSc2ncccc2N)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is PHRLSFHQEZGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-9(17-11)7-18-10-8(13)5-4-6-14-10/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 264.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).