3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole

C5H3IN4S — CID 136789594

IUPAC3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ncc[nH]2)ns1
InChIInChI=1S/C5H3IN4S/c6-5-9-4(10-11-5)3-7-1-2-8-3/h1-2H,(H,7,8)
InChIKeySILJDHJAIZEAHC-UHFFFAOYSA-N
MW278.08 g/mol
LogP1.53
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole

3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole (PubChem CID 136789594) has the molecular formula C5H3IN4S and a molecular weight of 278.08 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole
PubChem CID136789594
Molecular FormulaC5H3IN4S
Molecular Weight278.08 g/mol
Exact Mass277.91
IUPAC Name3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole
SMILESIc1nc(-c2ncc[nH]2)ns1
InChIInChI=1S/C5H3IN4S/c6-5-9-4(10-11-5)3-7-1-2-8-3/h1-2H,(H,7,8)
InChIKeySILJDHJAIZEAHC-UHFFFAOYSA-N
XLogP1.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1H-imidazol-2-yl)-5-iodo-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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole (CID 136789594) is 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole is Ic1nc(-c2ncc[nH]2)ns1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole?
The InChIKey is SILJDHJAIZEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4S/c6-5-9-4(10-11-5)3-7-1-2-8-3/h1-2H,(H,7,8).
What are the key properties of 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole?
3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole has a molecular weight of 278.08 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 136789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).