[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate

C19H17NO2S — CID 55319347

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
SMILESCc1ccc(-c2nc(COC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-7-9-16(10-8-14)19-20-17(13-23-19)12-22-18(21)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
InChIKeyZXDRSEGYFYZGAS-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.40
Rot. Bonds5

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate (PubChem CID 55319347) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
PubChem CID55319347
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
SMILESCc1ccc(-c2nc(COC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H17NO2S/c1-14-7-9-16(10-8-14)19-20-17(13-23-19)12-22-18(21)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3
InChIKeyZXDRSEGYFYZGAS-UHFFFAOYSA-N
XLogP4.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
CID 7871098
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886045
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42966150
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 32933840

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate (CID 55319347) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate is Cc1ccc(-c2nc(COC(=O)Cc3ccccc3)cs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate?
The InChIKey is ZXDRSEGYFYZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14-7-9-16(10-8-14)19-20-17(13-23-19)12-22-18(21)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate has a molecular weight of 323.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate is sourced from PubChem (CID 55319347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).