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

C13H12Cl2N2O2S — CID 107124321

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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