5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide

C9H11I2N3S — CID 22782067

IUPAC5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
SMILESI.ICC1CN=C(Nc2ccccn2)S1
InChIInChI=1S/C9H10IN3S.HI/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8;/h1-4,7H,5-6H2,(H,11,12,13);1H
InChIKeyBBEHLCAYPLLIOZ-UHFFFAOYSA-N
MW447.08 g/mol
LogP3.02
Rot. Bonds2

About 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide

5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide (PubChem CID 22782067) has the molecular formula C9H11I2N3S and a molecular weight of 447.08 g/mol. Its IUPAC name is 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
PubChem CID22782067
Molecular FormulaC9H11I2N3S
Molecular Weight447.08 g/mol
Exact Mass446.88
IUPAC Name5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
SMILESI.ICC1CN=C(Nc2ccccn2)S1
InChIInChI=1S/C9H10IN3S.HI/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8;/h1-4,7H,5-6H2,(H,11,12,13);1H
InChIKeyBBEHLCAYPLLIOZ-UHFFFAOYSA-N
XLogP3.02
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide 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 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The IUPAC name of 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide (CID 22782067) is 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide.
What is the SMILES notation for 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The canonical SMILES for 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide is I.ICC1CN=C(Nc2ccccn2)S1.
What is the InChIKey of 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The InChIKey is BBEHLCAYPLLIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3S.HI/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8;/h1-4,7H,5-6H2,(H,11,12,13);1H.
What are the key properties of 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide has a molecular weight of 447.08 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide is sourced from PubChem (CID 22782067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).