ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate

C12H10BrClN2O2S — CID 80568492

IUPACethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyBSZIRHRGFDJWLU-UHFFFAOYSA-N
MW361.65 g/mol
LogP4.48
Rot. Bonds4

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

ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate (PubChem CID 80568492) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
PubChem CID80568492
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Nameethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyBSZIRHRGFDJWLU-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(5-bromo-2-chloroanilino)-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-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 4-[(5-bromo-2-chlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697987
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567882
ethyl 2-(2-bromo-6-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107617594
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 78980179
ethyl 2-[(4-bromophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567799
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
methyl 2-(2-chloro-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 113306688
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate (CID 80568492) is ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cc(Br)ccc2Cl)n1.
What is the InChIKey of ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is BSZIRHRGFDJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 361.65 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).