3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride

C6H8BrClN2OS — CID 165468833

IUPAC3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)s2)COC1
InChIInChI=1S/C6H7BrN2OS.ClH/c7-4-1-9-5(11-4)6(8)2-10-3-6;/h1H,2-3,8H2;1H
InChIKeyOHPHDYLPXXWAPG-UHFFFAOYSA-N
MW271.57 g/mol
LogP1.51
Rot. Bonds1

About 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride

3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride (PubChem CID 165468833) has the molecular formula C6H8BrClN2OS and a molecular weight of 271.57 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride
PubChem CID165468833
Molecular FormulaC6H8BrClN2OS
Molecular Weight271.57 g/mol
Exact Mass269.92
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)s2)COC1
InChIInChI=1S/C6H7BrN2OS.ClH/c7-4-1-9-5(11-4)6(8)2-10-3-6;/h1H,2-3,8H2;1H
InChIKeyOHPHDYLPXXWAPG-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.57
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-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 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride (CID 165468833) is 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ncc(Br)s2)COC1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride?
The InChIKey is OHPHDYLPXXWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS.ClH/c7-4-1-9-5(11-4)6(8)2-10-3-6;/h1H,2-3,8H2;1H.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride?
3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride has a molecular weight of 271.57 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 165468833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).