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

C5H6BrNOS — CID 2763267

IUPAC4-bromo-2-ethoxy-1,3-thiazole
SMILESCCOc1nc(Br)cs1
InChIInChI=1S/C5H6BrNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyWWAHHXIZNAPEBY-UHFFFAOYSA-N
MW208.08 g/mol
LogP2.30
Rot. Bonds2

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

4-bromo-2-ethoxy-1,3-thiazole (PubChem CID 2763267) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-ethoxy-1,3-thiazole
PubChem CID2763267
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name4-bromo-2-ethoxy-1,3-thiazole
SMILESCCOc1nc(Br)cs1
InChIInChI=1S/C5H6BrNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyWWAHHXIZNAPEBY-UHFFFAOYSA-N
XLogP2.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
2-Bromo-4-methoxy-1,3-thiazole
CID 58107318
4-Chloro-2-ethoxy-1,3-thiazole
CID 83157294
4-Bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 79399831
4-Bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 82004362
4-Bromo-2-(4,4,4-trifluorobutoxy)-1,3-thiazole
CID 82789090
4-Bromo-2-(3,3,3-trifluoropropoxy)-1,3-thiazole
CID 82954875
4-Bromo-2-(2-fluoroethoxy)-1,3-thiazole
CID 118262359
4-Bromo-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 79400351
4-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722065

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-ethoxy-1,3-thiazole (CID 2763267) is 4-bromo-2-ethoxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-ethoxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-ethoxy-1,3-thiazole is CCOc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-ethoxy-1,3-thiazole?
The InChIKey is WWAHHXIZNAPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3.
What are the key properties of 4-bromo-2-ethoxy-1,3-thiazole?
4-bromo-2-ethoxy-1,3-thiazole has a molecular weight of 208.08 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-1,3-thiazole is sourced from PubChem (CID 2763267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).