4-bromo-1,3-thiazol-2-amine;hydrobromide

C3H4Br2N2S — CID 21184841

IUPAC4-bromo-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Nc1nc(Br)cs1
InChIInChI=1S/C3H3BrN2S.BrH/c4-2-1-7-3(5)6-2;/h1H,(H2,5,6);1H
InChIKeyPQODJSKNKRRLMK-UHFFFAOYSA-N
MW259.95 g/mol
LogP2.07
Rot. Bonds

About 4-bromo-1,3-thiazol-2-amine;hydrobromide

4-bromo-1,3-thiazol-2-amine;hydrobromide (PubChem CID 21184841) has the molecular formula C3H4Br2N2S and a molecular weight of 259.95 g/mol. Its IUPAC name is 4-bromo-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-bromo-1,3-thiazol-2-amine;hydrobromide
PubChem CID21184841
Molecular FormulaC3H4Br2N2S
Molecular Weight259.95 g/mol
Exact Mass257.85
IUPAC Name4-bromo-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Nc1nc(Br)cs1
InChIInChI=1S/C3H3BrN2S.BrH/c4-2-1-7-3(5)6-2;/h1H,(H2,5,6);1H
InChIKeyPQODJSKNKRRLMK-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1,3-thiazol-2-amine;hydrobromide 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 4-bromo-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-bromo-1,3-thiazol-2-amine;hydrobromide (CID 21184841) is 4-bromo-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-bromo-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-bromo-1,3-thiazol-2-amine;hydrobromide is Br.Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PQODJSKNKRRLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.BrH/c4-2-1-7-3(5)6-2;/h1H,(H2,5,6);1H.
What are the key properties of 4-bromo-1,3-thiazol-2-amine;hydrobromide?
4-bromo-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 259.95 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 21184841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).