5-bromo-1,3-thiazol-2-amine;hydrochloride

C3H4BrClN2S — CID 22170392

IUPAC5-bromo-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Br)s1
InChIInChI=1S/C3H3BrN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKeyXFDCNXIWKCIBAE-UHFFFAOYSA-N
MW215.50 g/mol
LogP1.91
Rot. Bonds

About 5-bromo-1,3-thiazol-2-amine;hydrochloride

5-bromo-1,3-thiazol-2-amine;hydrochloride (PubChem CID 22170392) has the molecular formula C3H4BrClN2S and a molecular weight of 215.50 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-2-amine;hydrochloride
PubChem CID22170392
Molecular FormulaC3H4BrClN2S
Molecular Weight215.50 g/mol
Exact Mass213.90
IUPAC Name5-bromo-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Br)s1
InChIInChI=1S/C3H3BrN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKeyXFDCNXIWKCIBAE-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1,3-thiazol-2-amine;hydrochloride 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-bromo-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-bromo-1,3-thiazol-2-amine;hydrochloride (CID 22170392) is 5-bromo-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-bromo-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-bromo-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is XFDCNXIWKCIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H.
What are the key properties of 5-bromo-1,3-thiazol-2-amine;hydrochloride?
5-bromo-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 215.50 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 22170392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).