2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole

C8H13N3S2 — CID 18538457

IUPAC2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole
SMILESCc1nnc(SC2CCNCC2)s1
InChIInChI=1S/C8H13N3S2/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
InChIKeyIWNQUMOSERAKQK-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole

2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole (PubChem CID 18538457) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole
PubChem CID18538457
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole
SMILESCc1nnc(SC2CCNCC2)s1
InChIInChI=1S/C8H13N3S2/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3
InChIKeyIWNQUMOSERAKQK-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole (CID 18538457) is 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole is Cc1nnc(SC2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole?
The InChIKey is IWNQUMOSERAKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-6-10-11-8(12-6)13-7-2-4-9-5-3-7/h7,9H,2-5H2,1H3.
What are the key properties of 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole?
2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole has a molecular weight of 215.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 18538457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).