2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C19H24N2O5S — CID 120687751

IUPAC2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(C(C)(C)C(=O)NCc2nc(C(=O)O)cs2)cc1OCC
InChIInChI=1S/C19H24N2O5S/c1-5-25-14-8-7-12(9-15(14)26-6-2)19(3,4)18(24)20-10-16-21-13(11-27-16)17(22)23/h7-9,11H,5-6,10H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyVITOYOBFPRIKBM-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.23
Rot. Bonds9

About 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 120687751) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID120687751
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(C(C)(C)C(=O)NCc2nc(C(=O)O)cs2)cc1OCC
InChIInChI=1S/C19H24N2O5S/c1-5-25-14-8-7-12(9-15(14)26-6-2)19(3,4)18(24)20-10-16-21-13(11-27-16)17(22)23/h7-9,11H,5-6,10H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyVITOYOBFPRIKBM-UHFFFAOYSA-N
XLogP3.23
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915478
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380511
2-[[[2-(ethylamino)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378761
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434
2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245356
2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245161
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
2-[[4-(4-ethoxyphenoxy)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245291
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 120687751) is 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CCOc1ccc(C(C)(C)C(=O)NCc2nc(C(=O)O)cs2)cc1OCC.
What is the InChIKey of 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VITOYOBFPRIKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-5-25-14-8-7-12(9-15(14)26-6-2)19(3,4)18(24)20-10-16-21-13(11-27-16)17(22)23/h7-9,11H,5-6,10H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 392.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 120687751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).