ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

C23H24N2O5S — CID 18275825

IUPACethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCc2cccc(OC)c2OC)nc1-c1ccccc1
InChIInChI=1S/C23H24N2O5S/c1-4-30-22(27)21-19(15-9-6-5-7-10-15)25-23(31-21)24-18(26)14-13-16-11-8-12-17(28-2)20(16)29-3/h5-12H,4,13-14H2,1-3H3,(H,24,25,26)
InChIKeyUTGWFORDKBMGIN-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.58
Rot. Bonds9

About ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 18275825) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID18275825
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Nameethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCc2cccc(OC)c2OC)nc1-c1ccccc1
InChIInChI=1S/C23H24N2O5S/c1-4-30-22(27)21-19(15-9-6-5-7-10-15)25-23(31-21)24-18(26)14-13-16-11-8-12-17(28-2)20(16)29-3/h5-12H,4,13-14H2,1-3H3,(H,24,25,26)
InChIKeyUTGWFORDKBMGIN-UHFFFAOYSA-N
XLogP4.58
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797
ethyl 2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16848085
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 41323784
ethyl 2-(3-benzamidopropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566727
ethyl 2-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16575050
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
ethyl 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55509740
ethyl 2-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55667835
3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18093778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 18275825) is ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CCc2cccc(OC)c2OC)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is UTGWFORDKBMGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-4-30-22(27)21-19(15-9-6-5-7-10-15)25-23(31-21)24-18(26)14-13-16-11-8-12-17(28-2)20(16)29-3/h5-12H,4,13-14H2,1-3H3,(H,24,25,26).
What are the key properties of ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18275825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).