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

C17H22N2S — CID 62540371

IUPAC4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
SMILESCCc1ccc(-c2nc(C3CCCNC3)sc2C)cc1
InChIInChI=1S/C17H22N2S/c1-3-13-6-8-14(9-7-13)16-12(2)20-17(19-16)15-5-4-10-18-11-15/h6-9,15,18H,3-5,10-11H2,1-2H3
InChIKeyDBAAXACLYVKAIC-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.15
Rot. Bonds3

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

4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62540371) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
PubChem CID62540371
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
SMILESCCc1ccc(-c2nc(C3CCCNC3)sc2C)cc1
InChIInChI=1S/C17H22N2S/c1-3-13-6-8-14(9-7-13)16-12(2)20-17(19-16)15-5-4-10-18-11-15/h6-9,15,18H,3-5,10-11H2,1-2H3
InChIKeyDBAAXACLYVKAIC-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
2-Methyl-4,5-diphenylthiazole
CID 77365
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
US11608337, Example 32
CID 132085789
US11608337, Example 3
CID 132085836
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
(1-Benzyl-piperidin-4-yl)-(2-phenyl-thiazol-4-ylmethyl)-amine
CID 12050200
4,5-Diphenyl-2-(3-(piperidin-1-yl)propylthio)thiazole
CID 52946282
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712729
5-(3-methylbutyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712730

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole (CID 62540371) is 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole is CCc1ccc(-c2nc(C3CCCNC3)sc2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is DBAAXACLYVKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-13-6-8-14(9-7-13)16-12(2)20-17(19-16)15-5-4-10-18-11-15/h6-9,15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62540371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).