2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole

C9H15N3S2 — CID 62358215

IUPAC2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESc1nnc(SCCC2CCCNC2)s1
InChIInChI=1S/C9H15N3S2/c1-2-8(6-10-4-1)3-5-13-9-12-11-7-14-9/h7-8,10H,1-6H2
InChIKeyUYQKWJOHASLMQO-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole

2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 62358215) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole
PubChem CID62358215
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole
SMILESc1nnc(SCCC2CCCNC2)s1
InChIInChI=1S/C9H15N3S2/c1-2-8(6-10-4-1)3-5-13-9-12-11-7-14-9/h7-8,10H,1-6H2
InChIKeyUYQKWJOHASLMQO-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 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole (CID 62358215) is 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole is c1nnc(SCCC2CCCNC2)s1.
What is the InChIKey of 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is UYQKWJOHASLMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-2-8(6-10-4-1)3-5-13-9-12-11-7-14-9/h7-8,10H,1-6H2.
What are the key properties of 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole?
2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-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 2-(2-piperidin-3-ylethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 62358215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).