4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C12H14N4OS — CID 83200894

IUPAC4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCc1cccc(-c2noc(C3CSCC3N)n2)n1
InChIInChI=1S/C12H14N4OS/c1-7-3-2-4-10(14-7)11-15-12(17-16-11)8-5-18-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyQSKJFZXIXBATPL-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.60
Rot. Bonds2

About 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83200894) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83200894
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCc1cccc(-c2noc(C3CSCC3N)n2)n1
InChIInChI=1S/C12H14N4OS/c1-7-3-2-4-10(14-7)11-15-12(17-16-11)8-5-18-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyQSKJFZXIXBATPL-UHFFFAOYSA-N
XLogP1.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83200894) is 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is Cc1cccc(-c2noc(C3CSCC3N)n2)n1.
What is the InChIKey of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is QSKJFZXIXBATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-3-2-4-10(14-7)11-15-12(17-16-11)8-5-18-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3.
What are the key properties of 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 262.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83200894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).