5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide

C17H21ClN2O2S — CID 22512116

IUPAC5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CC(C)CC(C)C1
InChIInChI=1S/C17H21ClN2O2S/c1-11-8-12(2)10-20(9-11)17-13(3)16(23(21,22)19-17)14-4-6-15(18)7-5-14/h4-7,11-12H,8-10H2,1-3H3
InChIKeyXIQWHFLGGWAWRD-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.79
Rot. Bonds1

About 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide

5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide (PubChem CID 22512116) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
PubChem CID22512116
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CC(C)CC(C)C1
InChIInChI=1S/C17H21ClN2O2S/c1-11-8-12(2)10-20(9-11)17-13(3)16(23(21,22)19-17)14-4-6-15(18)7-5-14/h4-7,11-12H,8-10H2,1-3H3
InChIKeyXIQWHFLGGWAWRD-UHFFFAOYSA-N
XLogP3.79
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide (CID 22512116) is 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CC(C)CC(C)C1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The InChIKey is XIQWHFLGGWAWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-11-8-12(2)10-20(9-11)17-13(3)16(23(21,22)19-17)14-4-6-15(18)7-5-14/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide has a molecular weight of 352.89 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).