2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

C18H22N2O5S — CID 119205389

IUPAC2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C18H22N2O5S/c1-5-8-20(10-15(21)22)18(23)16-11(2)19-17(26-16)12-6-7-13(24-3)14(9-12)25-4/h6-7,9H,5,8,10H2,1-4H3,(H,21,22)
InChIKeyNQBUAQCMIBILPK-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.07
Rot. Bonds8

About 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (PubChem CID 119205389) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
PubChem CID119205389
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C18H22N2O5S/c1-5-8-20(10-15(21)22)18(23)16-11(2)19-17(26-16)12-6-7-13(24-3)14(9-12)25-4/h6-7,9H,5,8,10H2,1-4H3,(H,21,22)
InChIKeyNQBUAQCMIBILPK-UHFFFAOYSA-N
XLogP3.07
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 51229118
2-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 56530794
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205644
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55414327
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 119234990
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 9092442
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24655097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (CID 119205389) is 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The InChIKey is NQBUAQCMIBILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-5-8-20(10-15(21)22)18(23)16-11(2)19-17(26-16)12-6-7-13(24-3)14(9-12)25-4/h6-7,9H,5,8,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid has a molecular weight of 378.45 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).