(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate

C18H15NO2S — CID 2388342

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15NO2S/c20-17(11-14-7-3-1-4-8-14)21-12-16-13-22-18(19-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyVEOLHULUFOBYIJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.10
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate (PubChem CID 2388342) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate
PubChem CID2388342
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15NO2S/c20-17(11-14-7-3-1-4-8-14)21-12-16-13-22-18(19-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyVEOLHULUFOBYIJ-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684
(2-Phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
CID 2115030
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate
CID 2997521
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-phenylbutanoate
CID 25162399
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 25162690
Ethyl 4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzoate
CID 71568951
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-nitrophenyl)acetate
CID 7832976
Benzyl 2-phenylthiazole-4-carboxylate
CID 8278199
Ethyl 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzoate
CID 147542580
Ethyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]benzoate
CID 147839228
Ethyl 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]benzoate
CID 148828044
Ethyl 2-phenylthiazole-4-carboxylate
CID 10036966

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate (CID 2388342) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate is O=C(Cc1ccccc1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate?
The InChIKey is VEOLHULUFOBYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-17(11-14-7-3-1-4-8-14)21-12-16-13-22-18(19-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate has a molecular weight of 309.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate is sourced from PubChem (CID 2388342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).