4-bromo-2-methoxy-1,3-thiazole

C4H4BrNOS — CID 2763266

IUPAC4-bromo-2-methoxy-1,3-thiazole
SMILESCOc1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS/c1-7-4-6-3(5)2-8-4/h2H,1H3
InChIKeyOZROWEIIPIELCJ-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.91
Rot. Bonds1

About 4-bromo-2-methoxy-1,3-thiazole

4-bromo-2-methoxy-1,3-thiazole (PubChem CID 2763266) has the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-methoxy-1,3-thiazole
PubChem CID2763266
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Exact Mass192.92
IUPAC Name4-bromo-2-methoxy-1,3-thiazole
SMILESCOc1nc(Br)cs1
InChIInChI=1S/C4H4BrNOS/c1-7-4-6-3(5)2-8-4/h2H,1H3
InChIKeyOZROWEIIPIELCJ-UHFFFAOYSA-N
XLogP1.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-(trimethylsilyl)-1,3-thiazole
CID 4340399
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
2-Bromo-4-methoxy-1,3-thiazole
CID 58107318
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 79399831
4-Bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 82004362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-methoxy-1,3-thiazole (CID 2763266) is 4-bromo-2-methoxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-methoxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-methoxy-1,3-thiazole is COc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-methoxy-1,3-thiazole?
The InChIKey is OZROWEIIPIELCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS/c1-7-4-6-3(5)2-8-4/h2H,1H3.
What are the key properties of 4-bromo-2-methoxy-1,3-thiazole?
4-bromo-2-methoxy-1,3-thiazole has a molecular weight of 194.05 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1,3-thiazole is sourced from PubChem (CID 2763266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).