[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite

C9H7I2N5OS — CID 122493375

IUPAC[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite
SMILESNc1nc(SI)n(I)c1C(=O)Nc1cccnc1
InChIInChI=1S/C9H7I2N5OS/c10-16-6(7(12)15-9(16)18-11)8(17)14-5-2-1-3-13-4-5/h1-4H,12H2,(H,14,17)
InChIKeyBJRXCNYCSBNGKD-UHFFFAOYSA-N
MW487.06 g/mol
LogP2.75
Rot. Bonds3

About [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite

[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite (PubChem CID 122493375) has the molecular formula C9H7I2N5OS and a molecular weight of 487.06 g/mol. Its IUPAC name is [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite.

Molecular Properties

Compound Name[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite
PubChem CID122493375
Molecular FormulaC9H7I2N5OS
Molecular Weight487.06 g/mol
Exact Mass486.85
IUPAC Name[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite
SMILESNc1nc(SI)n(I)c1C(=O)Nc1cccnc1
InChIInChI=1S/C9H7I2N5OS/c10-16-6(7(12)15-9(16)18-11)8(17)14-5-2-1-3-13-4-5/h1-4H,12H2,(H,14,17)
InChIKeyBJRXCNYCSBNGKD-UHFFFAOYSA-N
XLogP2.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.06
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite 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

4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
4-amino-2-piperidin-1-yl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116667887
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
boric acid;pyridin-3-ylurea
CID 175497836

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite?
The IUPAC name of [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite (CID 122493375) is [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite.
What is the SMILES notation for [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite?
The canonical SMILES for [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite is Nc1nc(SI)n(I)c1C(=O)Nc1cccnc1.
What is the InChIKey of [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite?
The InChIKey is BJRXCNYCSBNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7I2N5OS/c10-16-6(7(12)15-9(16)18-11)8(17)14-5-2-1-3-13-4-5/h1-4H,12H2,(H,14,17).
What are the key properties of [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite?
[4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite has a molecular weight of 487.06 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-iodo-5-(pyridin-3-ylcarbamoyl)imidazol-2-yl] thiohypoiodite is sourced from PubChem (CID 122493375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).