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

C21H21NO3S — CID 7871098

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H21NO3S/c1-15-7-9-17(10-8-15)21-22-18(14-26-21)13-25-20(23)12-11-16-5-3-4-6-19(16)24-2/h3-10,14H,11-13H2,1-2H3
InChIKeyRHLZOUVKGGPORP-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.80
Rot. Bonds7

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

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate (PubChem CID 7871098) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
PubChem CID7871098
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C21H21NO3S/c1-15-7-9-17(10-8-15)21-22-18(14-26-21)13-25-20(23)12-11-16-5-3-4-6-19(16)24-2/h3-10,14H,11-13H2,1-2H3
InChIKeyRHLZOUVKGGPORP-UHFFFAOYSA-N
XLogP4.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776265
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18280129
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 7524376
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(phenylcarbamoylamino)propanoate
CID 7805466
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
CID 8849808
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 4855143
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485197
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42966150

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate (CID 7871098) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The InChIKey is RHLZOUVKGGPORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-15-7-9-17(10-8-15)21-22-18(14-26-21)13-25-20(23)12-11-16-5-3-4-6-19(16)24-2/h3-10,14H,11-13H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate has a molecular weight of 367.47 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 7871098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).