4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline

C20H22N2O2S — CID 112798184

IUPAC4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(N(C)C)cc3)sc2C)c(OC)c1
InChIInChI=1S/C20H22N2O2S/c1-13-19(17-11-10-16(23-4)12-18(17)24-5)21-20(25-13)14-6-8-15(9-7-14)22(2)3/h6-12H,1-5H3
InChIKeyLCIRRQFUWOSRPG-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.87
Rot. Bonds5

About 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline

4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline (PubChem CID 112798184) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
PubChem CID112798184
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nc(-c3ccc(N(C)C)cc3)sc2C)c(OC)c1
InChIInChI=1S/C20H22N2O2S/c1-13-19(17-11-10-16(23-4)12-18(17)24-5)21-20(25-13)14-6-8-15(9-7-14)22(2)3/h6-12H,1-5H3
InChIKeyLCIRRQFUWOSRPG-UHFFFAOYSA-N
XLogP4.87
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline 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

4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
CID 112769637
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
4-(2,4-dimethoxyphenyl)-2,6-dimethylpyrimidin-5-amine
CID 82484014
2-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-5-methyl-1,3-thiazole
CID 9467644
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline (CID 112798184) is 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline is COc1ccc(-c2nc(-c3ccc(N(C)C)cc3)sc2C)c(OC)c1.
What is the InChIKey of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is LCIRRQFUWOSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-19(17-11-10-16(23-4)12-18(17)24-5)21-20(25-13)14-6-8-15(9-7-14)22(2)3/h6-12H,1-5H3.
What are the key properties of 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline?
4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 354.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 112798184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).