5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole

C6H6BrNO2S — CID 172992254

IUPAC5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole
SMILESBrc1cnc(OC2COC2)s1
InChIInChI=1S/C6H6BrNO2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3H2
InChIKeyFFMUNTMFFSNMFT-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.68
Rot. Bonds2

About 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole

5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole (PubChem CID 172992254) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole
PubChem CID172992254
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole
SMILESBrc1cnc(OC2COC2)s1
InChIInChI=1S/C6H6BrNO2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3H2
InChIKeyFFMUNTMFFSNMFT-UHFFFAOYSA-N
XLogP1.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole (CID 172992254) is 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole is Brc1cnc(OC2COC2)s1.
What is the InChIKey of 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole?
The InChIKey is FFMUNTMFFSNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3H2.
What are the key properties of 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole?
5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole has a molecular weight of 236.09 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole is sourced from PubChem (CID 172992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).