ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate

C13H11BrCl2N2O2S — CID 80573862

IUPACethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-2-20-11(19)5-8-6-21-13(17-8)18-12-9(15)3-7(14)4-10(12)16/h3-4,6H,2,5H2,1H3,(H,17,18)
InChIKeyVHSSMEKUUNPLJX-UHFFFAOYSA-N
MW410.12 g/mol
LogP5.06
Rot. Bonds5

About ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80573862) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80573862
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC Nameethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2c(Cl)cc(Br)cc2Cl)n1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-2-20-11(19)5-8-6-21-13(17-8)18-12-9(15)3-7(14)4-10(12)16/h3-4,6H,2,5H2,1H3,(H,17,18)
InChIKeyVHSSMEKUUNPLJX-UHFFFAOYSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate 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

methyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574213
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
methyl 2-[2-(2,4,6-trichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80574111
ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 82859828
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 58791720
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate (CID 80573862) is ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2c(Cl)cc(Br)cc2Cl)n1.
What is the InChIKey of ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is VHSSMEKUUNPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c1-2-20-11(19)5-8-6-21-13(17-8)18-12-9(15)3-7(14)4-10(12)16/h3-4,6H,2,5H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 410.12 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).