4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole

C5H4BrF2NOS — CID 82004362

IUPAC4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nc(Br)cs1
InChIInChI=1S/C5H4BrF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2
InChIKeyOKWZKGUHKNRHLV-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole

4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole (PubChem CID 82004362) has the molecular formula C5H4BrF2NOS and a molecular weight of 244.06 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
PubChem CID82004362
Molecular FormulaC5H4BrF2NOS
Molecular Weight244.06 g/mol
Exact Mass242.92
IUPAC Name4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole
SMILESFC(F)COc1nc(Br)cs1
InChIInChI=1S/C5H4BrF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2
InChIKeyOKWZKGUHKNRHLV-UHFFFAOYSA-N
XLogP2.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-ethoxy-1,3-thiazole
CID 2763267
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
4-Bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 79399831
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-[(3,3-difluorocyclobutyl)methoxy]-1,3-thiazole
CID 163208085
4-Bromo-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 79400351
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 83152988
4-Bromo-2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazole
CID 85871918

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole (CID 82004362) is 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole is FC(F)COc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole?
The InChIKey is OKWZKGUHKNRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NOS/c6-3-2-11-5(9-3)10-1-4(7)8/h2,4H,1H2.
What are the key properties of 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole?
4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole has a molecular weight of 244.06 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2-difluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 82004362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).