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

C9H10N4OS — CID 43302152

IUPAC5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
SMILESCc1noc(CSc2ccc(N)nc2)n1
InChIInChI=1S/C9H10N4OS/c1-6-12-9(14-13-6)5-15-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyOCHIAMWMYVSBMF-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.65
Rot. Bonds3

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

5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 43302152) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
PubChem CID43302152
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
SMILESCc1noc(CSc2ccc(N)nc2)n1
InChIInChI=1S/C9H10N4OS/c1-6-12-9(14-13-6)5-15-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyOCHIAMWMYVSBMF-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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Related Compounds

5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79134305
5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
CID 43301670
5-[(5-ethylthiophen-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302216
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
CID 54959929
2-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid
CID 113371755
3-chloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43305481
5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43304327
4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79133815
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301714
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301756

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine (CID 43302152) is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine is Cc1noc(CSc2ccc(N)nc2)n1.
What is the InChIKey of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is OCHIAMWMYVSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-12-9(14-13-6)5-15-7-2-3-8(10)11-4-7/h2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine?
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-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 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43302152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).