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

C11H12N4OS — CID 54959927

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1noc(C2CC2)n1
InChIInChI=1S/C11H12N4OS/c12-8-2-1-5-13-11(8)17-6-9-14-10(16-15-9)7-3-4-7/h1-2,5,7H,3-4,6,12H2
InChIKeyDSXBCVNJSYFJFH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.22
Rot. Bonds4

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

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 54959927) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine
PubChem CID54959927
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1noc(C2CC2)n1
InChIInChI=1S/C11H12N4OS/c12-8-2-1-5-13-11(8)17-6-9-14-10(16-15-9)7-3-4-7/h1-2,5,7H,3-4,6,12H2
InChIKeyDSXBCVNJSYFJFH-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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Related Compounds

5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
CID 54959929
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
CID 104590164
cis-(1S,3R)-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323384
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
CID 61495568
4-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66056524
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66073372
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567
cis-(1S,3R)-3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323426
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 129312701
ethyl 4-amino-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidine-5-carboxylate
CID 47069713
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine (CID 54959927) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is DSXBCVNJSYFJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-8-2-1-5-13-11(8)17-6-9-14-10(16-15-9)7-3-4-7/h1-2,5,7H,3-4,6,12H2.
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-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 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 54959927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).