5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole

C16H20N2S — CID 55084812

IUPAC5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(C3CCCCN3)sc2C)cc1
InChIInChI=1S/C16H20N2S/c1-11-6-8-13(9-7-11)15-12(2)19-16(18-15)14-5-3-4-10-17-14/h6-9,14,17H,3-5,10H2,1-2H3
InChIKeyCXZICCXRRXFVIC-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.24
Rot. Bonds2

About 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole

5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole (PubChem CID 55084812) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
PubChem CID55084812
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESCc1ccc(-c2nc(C3CCCCN3)sc2C)cc1
InChIInChI=1S/C16H20N2S/c1-11-6-8-13(9-7-11)15-12(2)19-16(18-15)14-5-3-4-10-17-14/h6-9,14,17H,3-5,10H2,1-2H3
InChIKeyCXZICCXRRXFVIC-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 62542301
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115042260
2-piperidin-2-yl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole
CID 113315254
2-ethyl-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115027143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole (CID 55084812) is 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole is Cc1ccc(-c2nc(C3CCCCN3)sc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is CXZICCXRRXFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-6-8-13(9-7-11)15-12(2)19-16(18-15)14-5-3-4-10-17-14/h6-9,14,17H,3-5,10H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole?
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 55084812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).