3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine

C8H8N4S — CID 19361574

IUPAC3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine
SMILES[H]/N=c1\scnn1Cc1cccnc1
InChIInChI=1S/C8H8N4S/c9-8-12(11-6-13-8)5-7-2-1-3-10-4-7/h1-4,6,9H,5H2/b9-8-
InChIKeyCURZGXCASGDUND-HJWRWDBZSA-N
MW192.25 g/mol
LogP0.87
Rot. Bonds2

About 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine

3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine (PubChem CID 19361574) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine
PubChem CID19361574
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine
SMILES[H]/N=c1\scnn1Cc1cccnc1
InChIInChI=1S/C8H8N4S/c9-8-12(11-6-13-8)5-7-2-1-3-10-4-7/h1-4,6,9H,5H2/b9-8-
InChIKeyCURZGXCASGDUND-HJWRWDBZSA-N
XLogP0.87
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine 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-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 1096899
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
pyridin-3-ylmethyldiazene
CID 54345031
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
6-amino-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 116788200
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
[1-(pyridin-3-ylmethyl)indazol-6-yl]methanol
CID 90133560
3-(pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 83638287
11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 56794347
[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
CID 125478317

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine?
The IUPAC name of 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine (CID 19361574) is 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine is [H]/N=c1\scnn1Cc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine?
The InChIKey is CURZGXCASGDUND-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H8N4S/c9-8-12(11-6-13-8)5-7-2-1-3-10-4-7/h1-4,6,9H,5H2/b9-8-.
What are the key properties of 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine?
3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine has a molecular weight of 192.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine is sourced from PubChem (CID 19361574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).