5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole

C9H15N3S2 — CID 105061391

IUPAC5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole
SMILESc1nsc(SCCC2CCNCC2)n1
InChIInChI=1S/C9H15N3S2/c1-4-10-5-2-8(1)3-6-13-9-11-7-12-14-9/h7-8,10H,1-6H2
InChIKeyHUHVGKHTXMJHNV-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.02
Rot. Bonds4

About 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole

5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 105061391) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole
PubChem CID105061391
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole
SMILESc1nsc(SCCC2CCNCC2)n1
InChIInChI=1S/C9H15N3S2/c1-4-10-5-2-8(1)3-6-13-9-11-7-12-14-9/h7-8,10H,1-6H2
InChIKeyHUHVGKHTXMJHNV-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole (CID 105061391) is 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole is c1nsc(SCCC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is HUHVGKHTXMJHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-4-10-5-2-8(1)3-6-13-9-11-7-12-14-9/h7-8,10H,1-6H2.
What are the key properties of 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole?
5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 229.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 105061391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).