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

C17H22N2OS — CID 60528657

IUPAC4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCC(C)CC3)sc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-8-10-19(11-9-12)17-18-16(13(2)21-17)14-4-6-15(20-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyGZVRHMHLTAWUTI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.36
Rot. Bonds3

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

4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 60528657) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID60528657
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(N3CCC(C)CC3)sc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-12-8-10-19(11-9-12)17-18-16(13(2)21-17)14-4-6-15(20-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyGZVRHMHLTAWUTI-UHFFFAOYSA-N
XLogP4.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-5-methyl-2-(4-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-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole (CID 60528657) is 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole is COc1ccc(-c2nc(N3CCC(C)CC3)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is GZVRHMHLTAWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-8-10-19(11-9-12)17-18-16(13(2)21-17)14-4-6-15(20-3)7-5-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 302.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60528657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).