2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine

C9H10N4S2 — CID 80644339

IUPAC2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Sc2ncns2)nc1
InChIInChI=1S/C9H10N4S2/c10-4-3-7-1-2-8(11-5-7)14-9-12-6-13-15-9/h1-2,5-6H,3-4,10H2
InChIKeyXIMKBZITBBQUQR-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.59
Rot. Bonds4

About 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine

2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine (PubChem CID 80644339) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine
PubChem CID80644339
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(Sc2ncns2)nc1
InChIInChI=1S/C9H10N4S2/c10-4-3-7-1-2-8(11-5-7)14-9-12-6-13-15-9/h1-2,5-6H,3-4,10H2
InChIKeyXIMKBZITBBQUQR-UHFFFAOYSA-N
XLogP1.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine (CID 80644339) is 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine is NCCc1ccc(Sc2ncns2)nc1.
What is the InChIKey of 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine?
The InChIKey is XIMKBZITBBQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c10-4-3-7-1-2-8(11-5-7)14-9-12-6-13-15-9/h1-2,5-6H,3-4,10H2.
What are the key properties of 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine?
2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine has a molecular weight of 238.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80644339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).