(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C19H17NO3S — CID 8813224

IUPAC(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-13-24-19(22)20(14)11-18(21)23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyKMMXJYXZQVWHSC-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.63
Rot. Bonds5

About (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8813224) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8813224
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-13-24-19(22)20(14)11-18(21)23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyKMMXJYXZQVWHSC-UHFFFAOYSA-N
XLogP3.63
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 8850705
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813987
(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 24633772
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 47007927
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783690
(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603246
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783790
3-[2-(4-ethylphenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025239
3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025800
(7-methyl-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9320557
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8813224) is (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is KMMXJYXZQVWHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-13-24-19(22)20(14)11-18(21)23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3.
What are the key properties of (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 339.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).