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

C9H10N4OS — CID 43300068

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCc1nnc(CSc2ccncc2N)o1
InChIInChI=1S/C9H10N4OS/c1-6-12-13-9(14-6)5-15-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyXOEVEDFMXGRMMH-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.65
Rot. Bonds3

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

4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300068) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
PubChem CID43300068
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine
SMILESCc1nnc(CSc2ccncc2N)o1
InChIInChI=1S/C9H10N4OS/c1-6-12-13-9(14-6)5-15-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3
InChIKeyXOEVEDFMXGRMMH-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine (CID 43300068) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is Cc1nnc(CSc2ccncc2N)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is XOEVEDFMXGRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-12-13-9(14-6)5-15-8-2-3-11-4-7(8)10/h2-4H,5,10H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 222.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).