4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole

C18H24N2O2S — CID 60603585

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCCC(C)C3)sc2C)cc1OC
InChIInChI=1S/C18H24N2O2S/c1-12-6-5-9-20(11-12)18-19-17(13(2)23-18)14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyAADXYIZJQYAIPN-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.37
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole

4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 60603585) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID60603585
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCCC(C)C3)sc2C)cc1OC
InChIInChI=1S/C18H24N2O2S/c1-12-6-5-9-20(11-12)18-19-17(13(2)23-18)14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyAADXYIZJQYAIPN-UHFFFAOYSA-N
XLogP4.37
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole (CID 60603585) is 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole is COc1ccc(-c2nc(N3CCCC(C)C3)sc2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is AADXYIZJQYAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-6-5-9-20(11-12)18-19-17(13(2)23-18)14-7-8-15(21-3)16(10-14)22-4/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60603585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).