ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate

C8H10BrNO2S — CID 13015593

IUPACethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Br)sc1CC
InChIInChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)10-8(9)13-5/h3-4H2,1-2H3
InChIKeyXXLQBCCAQLOYRE-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.64
Rot. Bonds3

About ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate

ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (PubChem CID 13015593) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
PubChem CID13015593
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Nameethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Br)sc1CC
InChIInChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)10-8(9)13-5/h3-4H2,1-2H3
InChIKeyXXLQBCCAQLOYRE-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-bromo-5-ethyl-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

ethyl 2-bromo-5-iodo-1,3-thiazole-4-carboxylate
CID 91903053
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
ethyl 5-bromo-2-iodo-1,3-thiazole-4-carboxylate
CID 91903052
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-amino-5-ethynyl-1,3-thiazole-4-carboxylate
CID 86609812
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 141485375
ethyl 2-amino-5-(3-chloropropyl)-1,3-thiazole-4-carboxylate
CID 59418686
ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 155124766
diethyl 2-ethynyl-1,3-thiazole-4,5-dicarboxylate
CID 86609815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate (CID 13015593) is ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Br)sc1CC.
What is the InChIKey of ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate?
The InChIKey is XXLQBCCAQLOYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-3-5-6(7(11)12-4-2)10-8(9)13-5/h3-4H2,1-2H3.
What are the key properties of ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate?
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate has a molecular weight of 264.14 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 13015593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).