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

C23H24N2O4S — CID 24819887

IUPAC[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-5-3-4-6-20(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-9-17-7-10-19(28-2)11-8-17/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26)
InChIKeyZQYDDGGHPXKVPW-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.32
Rot. Bonds9

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

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate (PubChem CID 24819887) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate
PubChem CID24819887
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-5-3-4-6-20(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-9-17-7-10-19(28-2)11-8-17/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26)
InChIKeyZQYDDGGHPXKVPW-UHFFFAOYSA-N
XLogP4.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015502
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
[2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate
CID 4791518
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16245966
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
(+/-)-5-[3-[4-[(5-Methyl-2-phenyl-4-thiazolyl)methoxy]-phenyl]propyl]-2,4-oxazolidinedione
CID 23450158
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 24819686
N-(3,4-dimethylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015478
N-(3,5-dimethylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015480
N-(4-chlorophenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015508
[2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16279412

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate (CID 24819887) is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1.
What is the InChIKey of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is ZQYDDGGHPXKVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-5-3-4-6-20(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-9-17-7-10-19(28-2)11-8-17/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26).
What are the key properties of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate?
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 424.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 24819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).