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

C13H12Cl2N2O2S — CID 107124321

IUPACethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-19-13(18)11(12-16-7-10(15)20-12)17-9-5-3-4-8(14)6-9/h3-7,11,17H,2H2,1H3
InChIKeyXXSYNFQIVPFXLZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.17
Rot. Bonds5

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

ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (PubChem CID 107124321) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
PubChem CID107124321
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Nameethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(Cl)c1)c1ncc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-19-13(18)11(12-16-7-10(15)20-12)17-9-5-3-4-8(14)6-9/h3-7,11,17H,2H2,1H3
InChIKeyXXSYNFQIVPFXLZ-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124280
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
ethyl 2-(3-chloroanilino)-4-methoxy-3-methylbutanoate
CID 116502017
2-(3-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937337
ethyl 3-(5-chloro-1,3-thiazol-2-yl)-3-hydroxypropanoate
CID 107125457
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
ethyl 2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate (CID 107124321) is ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is CCOC(=O)C(Nc1cccc(Cl)c1)c1ncc(Cl)s1.
What is the InChIKey of ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
The InChIKey is XXSYNFQIVPFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-2-19-13(18)11(12-16-7-10(15)20-12)17-9-5-3-4-8(14)6-9/h3-7,11,17H,2H2,1H3.
What are the key properties of ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate?
ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate has a molecular weight of 331.22 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 107124321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).