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

C12H11ClN2O2S — CID 53428670

IUPACethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyULUBAPWNHROTEU-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.72
Rot. Bonds4

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

ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate (PubChem CID 53428670) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
PubChem CID53428670
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Nameethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeyULUBAPWNHROTEU-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(3-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2731542
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
2-(4-Chloroanilino)-1,3-thiazole-4-carboxylic acid
CID 2757762
2-[3-(4-Chloro-phenyl)-ureido]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 719141
Pentyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168271921
Butyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168275537
2-Methoxyethyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168287305
2-Ethoxyethyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168287420
Propan-2-yl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168290294
Propyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168291720
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
2-Anilino-1,3-thiazole-4-carboxylic acid
CID 2760358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate (CID 53428670) is ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is ULUBAPWNHROTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 282.75 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloroanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53428670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).