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

C11H12N4OS — CID 54959929

IUPAC5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C11H12N4OS/c12-9-4-3-8(5-13-9)17-6-10-14-11(16-15-10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,13)
InChIKeyZSYFKSQVAYRTRN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.22
Rot. Bonds4

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

5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 54959929) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
PubChem CID54959929
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2noc(C3CC3)n2)cn1
InChIInChI=1S/C11H12N4OS/c12-9-4-3-8(5-13-9)17-6-10-14-11(16-15-10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,13)
InChIKeyZSYFKSQVAYRTRN-UHFFFAOYSA-N
XLogP2.22
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine (CID 54959929) is 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2noc(C3CC3)n2)cn1.
What is the InChIKey of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is ZSYFKSQVAYRTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-9-4-3-8(5-13-9)17-6-10-14-11(16-15-10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,13).
What are the key properties of 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine?
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine has a molecular weight of 248.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 54959929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).