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

C3H4BrN2S+ — CID 174601727

IUPAC5-bromo-1,3-thiazol-2-amine;hydron
SMILESNc1ncc(Br)s1.[H+]
InChIInChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)/p+1
InChIKeyARHCLXWELPFVFQ-UHFFFAOYSA-O
MW180.05 g/mol
LogP1.60
Rot. Bonds

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

5-bromo-1,3-thiazol-2-amine;hydron (PubChem CID 174601727) has the molecular formula C3H4BrN2S+ and a molecular weight of 180.05 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-2-amine;hydron.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-2-amine;hydron
PubChem CID174601727
Molecular FormulaC3H4BrN2S+
Molecular Weight180.05 g/mol
Exact Mass178.93
IUPAC Name5-bromo-1,3-thiazol-2-amine;hydron
SMILESNc1ncc(Br)s1.[H+]
InChIInChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)/p+1
InChIKeyARHCLXWELPFVFQ-UHFFFAOYSA-O
XLogP1.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1,3-thiazol-2-amine;hydron 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;hydron?
The IUPAC name of 5-bromo-1,3-thiazol-2-amine;hydron (CID 174601727) is 5-bromo-1,3-thiazol-2-amine;hydron.
What is the SMILES notation for 5-bromo-1,3-thiazol-2-amine;hydron?
The canonical SMILES for 5-bromo-1,3-thiazol-2-amine;hydron is Nc1ncc(Br)s1.[H+].
What is the InChIKey of 5-bromo-1,3-thiazol-2-amine;hydron?
The InChIKey is ARHCLXWELPFVFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)/p+1.
What are the key properties of 5-bromo-1,3-thiazol-2-amine;hydron?
5-bromo-1,3-thiazol-2-amine;hydron has a molecular weight of 180.05 g/mol, XLogP of 1.60, 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;hydron is sourced from PubChem (CID 174601727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).