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

C12H16N4OS — CID 43299488

IUPAC4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nnc(CSc2ccncc2N)o1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-10(17-11)7-18-9-4-5-14-6-8(9)13/h4-6H,7,13H2,1-3H3
InChIKeyLUHJHUHROBMGPO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.64
Rot. Bonds3

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

4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 43299488) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
PubChem CID43299488
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)(C)c1nnc(CSc2ccncc2N)o1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-10(17-11)7-18-9-4-5-14-6-8(9)13/h4-6H,7,13H2,1-3H3
InChIKeyLUHJHUHROBMGPO-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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Related Compounds

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CID 53516352
CID 77082395
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CID 113872892
CID 113872892
CID 71858556
CID 71858556
CID 89878914
CID 89878914
CID 167103057
CID 167103057
CID 13154254
CID 13154254
CID 17750182
CID 17750182
CID 43299689
CID 43299689
CID 43299701
CID 43299701

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (CID 43299488) is 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is CC(C)(C)c1nnc(CSc2ccncc2N)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is LUHJHUHROBMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)11-16-15-10(17-11)7-18-9-4-5-14-6-8(9)13/h4-6H,7,13H2,1-3H3.
What are the key properties of 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
4-[(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 4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).