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

C6H7BrN2OS — CID 165468834

IUPAC3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine
SMILESNC1(c2ncc(Br)s2)COC1
InChIInChI=1S/C6H7BrN2OS/c7-4-1-9-5(11-4)6(8)2-10-3-6/h1H,2-3,8H2
InChIKeyKIWFWRYGGKGQJU-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.09
Rot. Bonds1

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

3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine (PubChem CID 165468834) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine
PubChem CID165468834
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine
SMILESNC1(c2ncc(Br)s2)COC1
InChIInChI=1S/C6H7BrN2OS/c7-4-1-9-5(11-4)6(8)2-10-3-6/h1H,2-3,8H2
InChIKeyKIWFWRYGGKGQJU-UHFFFAOYSA-N
XLogP1.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine (CID 165468834) is 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine is NC1(c2ncc(Br)s2)COC1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine?
The InChIKey is KIWFWRYGGKGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c7-4-1-9-5(11-4)6(8)2-10-3-6/h1H,2-3,8H2.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine?
3-(5-bromo-1,3-thiazol-2-yl)oxetan-3-amine has a molecular weight of 235.11 g/mol, XLogP of 1.09, 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 is sourced from PubChem (CID 165468834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).