ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate

C14H12Cl2N2O4S — CID 2349759

IUPACethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O4S/c1-2-21-13(20)10-7-23-14(17-10)18-12(19)6-22-11-4-3-8(15)5-9(11)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyGLAYGJFYVNSHQT-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.64
Rot. Bonds6

About ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 2349759) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID2349759
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC Nameethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H12Cl2N2O4S/c1-2-21-13(20)10-7-23-14(17-10)18-12(19)6-22-11-4-3-8(15)5-9(11)16/h3-5,7H,2,6H2,1H3,(H,17,18,19)
InChIKeyGLAYGJFYVNSHQT-UHFFFAOYSA-N
XLogP3.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 2349759) is ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GLAYGJFYVNSHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-2-21-13(20)10-7-23-14(17-10)18-12(19)6-22-11-4-3-8(15)5-9(11)16/h3-5,7H,2,6H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 375.23 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2349759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).