5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole

C8H6IN3S — CID 102618578

IUPAC5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
SMILESIc1nc(Cc2ccccn2)ns1
InChIInChI=1S/C8H6IN3S/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2
InChIKeySOHHNEJQBBISIG-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.13
Rot. Bonds2

About 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole

5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole (PubChem CID 102618578) has the molecular formula C8H6IN3S and a molecular weight of 303.13 g/mol. Its IUPAC name is 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
PubChem CID102618578
Molecular FormulaC8H6IN3S
Molecular Weight303.13 g/mol
Exact Mass302.93
IUPAC Name5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
SMILESIc1nc(Cc2ccccn2)ns1
InChIInChI=1S/C8H6IN3S/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2
InChIKeySOHHNEJQBBISIG-UHFFFAOYSA-N
XLogP2.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268605
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336159
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811600
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
2-methyl-4-(pyridin-2-ylmethyl)pyridine
CID 15271106
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 54898230
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 114245179

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole (CID 102618578) is 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole is Ic1nc(Cc2ccccn2)ns1.
What is the InChIKey of 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole?
The InChIKey is SOHHNEJQBBISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3S/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2.
What are the key properties of 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole?
5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole has a molecular weight of 303.13 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).