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

C16H19ClN2O2S — CID 22512364

IUPAC5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(C)CC1
InChIInChI=1S/C16H19ClN2O2S/c1-11-6-8-19(9-7-11)16-12(2)15(22(20,21)18-16)13-4-3-5-14(17)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFYEORKQYVSGXOZ-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.54
Rot. Bonds1

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

5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide (PubChem CID 22512364) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
PubChem CID22512364
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(C)CC1
InChIInChI=1S/C16H19ClN2O2S/c1-11-6-8-19(9-7-11)16-12(2)15(22(20,21)18-16)13-4-3-5-14(17)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFYEORKQYVSGXOZ-UHFFFAOYSA-N
XLogP3.54
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide (CID 22512364) is 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide is CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(C)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
The InChIKey is FYEORKQYVSGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-11-6-8-19(9-7-11)16-12(2)15(22(20,21)18-16)13-4-3-5-14(17)10-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide?
5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide has a molecular weight of 338.86 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).