ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate

C13H11BrCl2N2O2S — CID 107124280

IUPACethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)c(Br)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-2-20-13(19)11(12-17-6-10(16)21-12)18-7-3-4-9(15)8(14)5-7/h3-6,11,18H,2H2,1H3
InChIKeyHUZKJKKIXBILFU-UHFFFAOYSA-N
MW410.12 g/mol
LogP4.93
Rot. Bonds5

About ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate

ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (PubChem CID 107124280) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
PubChem CID107124280
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC Nameethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(Cl)c(Br)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-2-20-13(19)11(12-17-6-10(16)21-12)18-7-3-4-9(15)8(14)5-7/h3-6,11,18H,2H2,1H3
InChIKeyHUZKJKKIXBILFU-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124321
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
ethyl 3-(5-chloro-1,3-thiazol-2-yl)-3-hydroxypropanoate
CID 107125457
ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 83230878
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
ethyl 2-(3,4-dichloroanilino)pentanoate
CID 83037604
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (CID 107124280) is ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is CCOC(=O)C(Nc1ccc(Cl)c(Br)c1)c1ncc(Cl)s1.
What is the InChIKey of ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The InChIKey is HUZKJKKIXBILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c1-2-20-13(19)11(12-17-6-10(16)21-12)18-7-3-4-9(15)8(14)5-7/h3-6,11,18H,2H2,1H3.
What are the key properties of ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate has a molecular weight of 410.12 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 107124280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).