ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate

C19H17NO2S — CID 71568951

IUPACethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyGXKUABMTGNPJTO-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.96
Rot. Bonds4

About ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate

ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate (PubChem CID 71568951) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate
PubChem CID71568951
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Nameethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyGXKUABMTGNPJTO-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 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
Methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
CID 1474031
4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684
4-(4-Hydroxy-5-methyl-thiazol-2-yl)-benzoic acid ethyl ester
CID 15691767
Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
Ethyl 4-phenylthiazole-5-carboxylate
CID 13441325
Methyl 3-[[2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 2552965
(E)-methyl 4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)benzoate
CID 5734118
4-Methyl-5-{[(3-methylbenzoyl)oxy]ethanimidoyl}-2-phenyl-1,3-thiazole
CID 9581910
5-{[(4-Fluorobenzoyl)oxy]ethanimidoyl}-4-methyl-2-phenyl-1,3-thiazole
CID 9581912
4-(4-Hydroxy-5-methyl-thiazol-2-yl)-benzoic acid phenethyl ester
CID 15691768

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate (CID 71568951) is ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate is CCOC(=O)c1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1.
What is the InChIKey of ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is GXKUABMTGNPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-3-22-19(21)16-11-9-15(10-12-16)18-20-17(13(2)23-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate?
ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate 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 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 71568951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).