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

C9H10N4OS — CID 63154328

IUPAC5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCSCc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C9H10N4OS/c1-15-5-8-12-9(14-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3
InChIKeyLCILCZFYBIRBBE-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.58
Rot. Bonds3

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

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 63154328) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID63154328
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCSCc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C9H10N4OS/c1-15-5-8-12-9(14-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3
InChIKeyLCILCZFYBIRBBE-UHFFFAOYSA-N
XLogP1.58
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63892343
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154285
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154240
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329296
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
2-methyl-6-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62694720
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66143046

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 63154328) is 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CSCc1noc(-c2cncc(N)c2)n1.
What is the InChIKey of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is LCILCZFYBIRBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-15-5-8-12-9(14-13-8)6-2-7(10)4-11-3-6/h2-4H,5,10H2,1H3.
What are the key properties of 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 222.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 63154328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).