1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine

C10H12N4OS — CID 83124392

IUPAC1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine
SMILESCc1nnc(Sc2ccc(C(C)N)nc2)o1
InChIInChI=1S/C10H12N4OS/c1-6(11)9-4-3-8(5-12-9)16-10-14-13-7(2)15-10/h3-6H,11H2,1-2H3
InChIKeyHTJFTDDDMIIPII-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.94
Rot. Bonds3

About 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine

1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine (PubChem CID 83124392) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine
PubChem CID83124392
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine
SMILESCc1nnc(Sc2ccc(C(C)N)nc2)o1
InChIInChI=1S/C10H12N4OS/c1-6(11)9-4-3-8(5-12-9)16-10-14-13-7(2)15-10/h3-6H,11H2,1-2H3
InChIKeyHTJFTDDDMIIPII-UHFFFAOYSA-N
XLogP1.94
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine (CID 83124392) is 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine is Cc1nnc(Sc2ccc(C(C)N)nc2)o1.
What is the InChIKey of 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine?
The InChIKey is HTJFTDDDMIIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6(11)9-4-3-8(5-12-9)16-10-14-13-7(2)15-10/h3-6H,11H2,1-2H3.
What are the key properties of 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine?
1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine has a molecular weight of 236.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).