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

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Related Compounds

4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60603585
4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 86880810
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4788158
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4122784
[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62765321
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
5-(5-cyclopropylpyrimidin-4-yl)-4-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 173186195
5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
CID 82162161
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
5-(4-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 46245149
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19586800

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).