ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate

C20H20N2O2S — CID 44529079

IUPACethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-20(23)18-17(15-10-6-4-7-11-15)22-19(25-18)14(2)21-16-12-8-5-9-13-16/h4-14,21H,3H2,1-2H3
InChIKeyRVTYUWXLHROOAR-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.16
Rot. Bonds6

About ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 44529079) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID44529079
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Nameethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C(C)Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-20(23)18-17(15-10-6-4-7-11-15)22-19(25-18)14(2)21-16-12-8-5-9-13-16/h4-14,21H,3H2,1-2H3
InChIKeyRVTYUWXLHROOAR-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 2-methylsulfanyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 13441328
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 4-phenyl-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16838736
ethyl 4-[5-methyl-2-[(1S)-1-(methylamino)ethyl]-1,3-thiazol-4-yl]benzoate
CID 67046755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate (CID 44529079) is ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C(C)Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is RVTYUWXLHROOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-24-20(23)18-17(15-10-6-4-7-11-15)22-19(25-18)14(2)21-16-12-8-5-9-13-16/h4-14,21H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 44529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).