ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate

C20H15N3O4S — CID 59735921

IUPACethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2cccc(Oc3ccccc3C#N)c2)s1
InChIInChI=1S/C20H15N3O4S/c1-2-26-19(25)17-12-22-20(28-17)23-18(24)13-7-5-8-15(10-13)27-16-9-4-3-6-14(16)11-21/h3-10,12H,2H2,1H3,(H,22,23,24)
InChIKeyYSBVFQDDJXVTKZ-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.24
Rot. Bonds6

About ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate

ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 59735921) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID59735921
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Nameethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2cccc(Oc3ccccc3C#N)c2)s1
InChIInChI=1S/C20H15N3O4S/c1-2-26-19(25)17-12-22-20(28-17)23-18(24)13-7-5-8-15(10-13)27-16-9-4-3-6-14(16)11-21/h3-10,12H,2H2,1H3,(H,22,23,24)
InChIKeyYSBVFQDDJXVTKZ-UHFFFAOYSA-N
XLogP4.24
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
ethyl 2-[[3-(1-amino-2-methyl-1-oxopropan-2-yl)oxy-5-propan-2-yloxybenzoyl]amino]-1,3-thiazole-5-carboxylate
CID 87419506
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549
ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
CID 59823678
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 59735921) is ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)c2cccc(Oc3ccccc3C#N)c2)s1.
What is the InChIKey of ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is YSBVFQDDJXVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c1-2-26-19(25)17-12-22-20(28-17)23-18(24)13-7-5-8-15(10-13)27-16-9-4-3-6-14(16)11-21/h3-10,12H,2H2,1H3,(H,22,23,24).
What are the key properties of ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 393.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59735921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).