3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine

C5H3IN4S2 — CID 130541330

IUPAC3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ncc(I)s2)ns1
InChIInChI=1S/C5H3IN4S2/c6-2-1-8-4(11-2)3-9-5(7)12-10-3/h1H,(H2,7,9,10)
InChIKeyQGXNNLHKRJDCOJ-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.85
Rot. Bonds1

About 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine

3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130541330) has the molecular formula C5H3IN4S2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130541330
Molecular FormulaC5H3IN4S2
Molecular Weight310.15 g/mol
Exact Mass309.88
IUPAC Name3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ncc(I)s2)ns1
InChIInChI=1S/C5H3IN4S2/c6-2-1-8-4(11-2)3-9-5(7)12-10-3/h1H,(H2,7,9,10)
InChIKeyQGXNNLHKRJDCOJ-UHFFFAOYSA-N
XLogP1.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine 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-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine (CID 130541330) is 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ncc(I)s2)ns1.
What is the InChIKey of 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QGXNNLHKRJDCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4S2/c6-2-1-8-4(11-2)3-9-5(7)12-10-3/h1H,(H2,7,9,10).
What are the key properties of 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine?
3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 310.15 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130541330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).