ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate

C12H9BrFNO2S — CID 114884535

IUPACethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(F)cccc2Br)n1
InChIInChI=1S/C12H9BrFNO2S/c1-2-17-12(16)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3
InChIKeySRCWNMYIOKGJOX-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.89
Rot. Bonds3

About ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 114884535) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID114884535
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Nameethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(F)cccc2Br)n1
InChIInChI=1S/C12H9BrFNO2S/c1-2-17-12(16)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3
InChIKeySRCWNMYIOKGJOX-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate 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

1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114884533
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(4-methyl-3-phenylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 67071923
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 114884535) is ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2c(F)cccc2Br)n1.
What is the InChIKey of ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SRCWNMYIOKGJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c1-2-17-12(16)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 330.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114884535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).