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

C19H17NO2S — CID 86277528

IUPACethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2C)nc1-c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)17-16(14-10-5-4-6-11-14)20-18(23-17)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3
InChIKeyBOZVAZFMZMGDEW-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.96
Rot. Bonds4

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

ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 86277528) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID86277528
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Nameethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2C)nc1-c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)17-16(14-10-5-4-6-11-14)20-18(23-17)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3
InChIKeyBOZVAZFMZMGDEW-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
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-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
ethyl 4-phenyl-2-(3-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxylate
CID 168514563
ethyl 2-[13-(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 146183998
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
ethyl 2-[3-(5-formylfuran-2-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 169334734
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
CID 20855145
ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44529079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate (CID 86277528) is ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2C)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is BOZVAZFMZMGDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-3-22-19(21)17-16(14-10-5-4-6-11-14)20-18(23-17)15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86277528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).