ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate

C18H15NO2S — CID 11001366

IUPACethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15NO2S/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)22-17(19-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyBTJNJDYIQQKKIS-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.65
Rot. Bonds4

About ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate

ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate (PubChem CID 11001366) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
PubChem CID11001366
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Nameethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C18H15NO2S/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)22-17(19-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyBTJNJDYIQQKKIS-UHFFFAOYSA-N
XLogP4.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,5-diphenyl-1,3-thiazole-4-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-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291290
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291434
ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
CID 134942874
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291551
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate (CID 11001366) is ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate?
The InChIKey is BTJNJDYIQQKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-2-21-18(20)15-16(13-9-5-3-6-10-13)22-17(19-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate?
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11001366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).