ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate

C14H14Cl2N2O2S — CID 78943001

IUPACethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2S/c1-3-20-13(19)12-7-21-14(18-12)17-8(2)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyYPMJFGHQTSDCCB-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.80
Rot. Bonds5

About ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 78943001) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID78943001
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Nameethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2S/c1-3-20-13(19)12-7-21-14(18-12)17-8(2)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyYPMJFGHQTSDCCB-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 80568153
ethyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-1,3-thiazole-4-carboxylate
CID 55333613
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
methyl 2-[1-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423903
ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-[2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574170
2-[1-(2,4-dichlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569495
ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80568492
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696610

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate (CID 78943001) is ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(C)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is YPMJFGHQTSDCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-3-20-13(19)12-7-21-14(18-12)17-8(2)10-5-4-9(15)6-11(10)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 345.25 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,4-dichlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78943001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).