4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole

C20H30N2S — CID 69484647

IUPAC4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole
SMILESCC1=CSC(c2c(C)cc(C)cc2C)N1CCN1CCCCC1
InChIInChI=1S/C20H30N2S/c1-15-12-16(2)19(17(3)13-15)20-22(18(4)14-23-20)11-10-21-8-6-5-7-9-21/h12-14,20H,5-11H2,1-4H3
InChIKeySYSZPTTXHNNGQI-UHFFFAOYSA-N
MW330.54 g/mol
LogP5.01
Rot. Bonds4

About 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole

4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole (PubChem CID 69484647) has the molecular formula C20H30N2S and a molecular weight of 330.54 g/mol. Its IUPAC name is 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole
PubChem CID69484647
Molecular FormulaC20H30N2S
Molecular Weight330.54 g/mol
Exact Mass330.21
IUPAC Name4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole
SMILESCC1=CSC(c2c(C)cc(C)cc2C)N1CCN1CCCCC1
InChIInChI=1S/C20H30N2S/c1-15-12-16(2)19(17(3)13-15)20-22(18(4)14-23-20)11-10-21-8-6-5-7-9-21/h12-14,20H,5-11H2,1-4H3
InChIKeySYSZPTTXHNNGQI-UHFFFAOYSA-N
XLogP5.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole?
The IUPAC name of 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole (CID 69484647) is 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole.
What is the SMILES notation for 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole?
The canonical SMILES for 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole is CC1=CSC(c2c(C)cc(C)cc2C)N1CCN1CCCCC1.
What is the InChIKey of 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole?
The InChIKey is SYSZPTTXHNNGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2S/c1-15-12-16(2)19(17(3)13-15)20-22(18(4)14-23-20)11-10-21-8-6-5-7-9-21/h12-14,20H,5-11H2,1-4H3.
What are the key properties of 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole?
4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole has a molecular weight of 330.54 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-piperidin-1-ylethyl)-2-(2,4,6-trimethylphenyl)-2H-1,3-thiazole is sourced from PubChem (CID 69484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).