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

C23H24N2O4S — CID 24818366

IUPAC[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C23H24N2O4S/c1-16-7-3-5-9-19(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-11-17-8-4-6-10-20(17)28-2/h3-10,15H,11-14H2,1-2H3,(H,25,26)
InChIKeyFYGFLVPUBFLXQA-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.32
Rot. Bonds9

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

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate (PubChem CID 24818366) 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-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
PubChem CID24818366
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-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C23H24N2O4S/c1-16-7-3-5-9-19(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-11-17-8-4-6-10-20(17)28-2/h3-10,15H,11-14H2,1-2H3,(H,25,26)
InChIKeyFYGFLVPUBFLXQA-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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate (CID 24818366) is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1.
What is the InChIKey of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
The InChIKey is FYGFLVPUBFLXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-7-3-5-9-19(16)25-21(26)13-22-24-18(15-30-22)14-29-23(27)12-11-17-8-4-6-10-20(17)28-2/h3-10,15H,11-14H2,1-2H3,(H,25,26).
What are the key properties of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate?
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2-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-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 24818366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).