3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

C8H11N3S — CID 11629696

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCN1CCC=C(c2cnsn2)C1
InChIInChI=1S/C8H11N3S/c1-11-4-2-3-7(6-11)8-5-9-12-10-8/h3,5H,2,4,6H2,1H3
InChIKeyUCJUMFDXIJNLOK-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.26
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 11629696) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID11629696
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCN1CCC=C(c2cnsn2)C1
InChIInChI=1S/C8H11N3S/c1-11-4-2-3-7(6-11)8-5-9-12-10-8/h3,5H,2,4,6H2,1H3
InChIKeyUCJUMFDXIJNLOK-UHFFFAOYSA-N
XLogP1.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-Methyl-4-(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,3-triazole
CID 10442260
5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10012808
1-Methyl-5-(2-prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10104311
1-Methyl-5-(2-vinyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10241624
5-(2-Butyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10262914
5-(2-Allyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10465525
1-Methyl-5-(2-propyl-2H-1,2,3-triazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 11820311
5-(4-Fluoro-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydropyridine
CID 69611945
3-Fluoro-4-(1-methylpyrid-3-yl)-1,2,5-thiadiazole
CID 69611973
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole
CID 18920346
3-(1,2,3,6-Tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 19705379
3-(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 54392141

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 11629696) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is CN1CCC=C(c2cnsn2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is UCJUMFDXIJNLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-11-4-2-3-7(6-11)8-5-9-12-10-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 11629696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).