3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine

C17H23Cl2NOS — CID 10473668

IUPAC3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine
SMILESClc1cccc(Cl)c1CCO[C@@H]1CCCC[C@H]1N1CCSC1
InChIInChI=1S/C17H23Cl2NOS/c18-14-4-3-5-15(19)13(14)8-10-21-17-7-2-1-6-16(17)20-9-11-22-12-20/h3-5,16-17H,1-2,6-12H2/t16-,17-/m1/s1
InChIKeyHDTKTGATXZRRTG-IAGOWNOFSA-N
MW360.35 g/mol
LogP4.87
Rot. Bonds5

About 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine

3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine (PubChem CID 10473668) has the molecular formula C17H23Cl2NOS and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine
PubChem CID10473668
Molecular FormulaC17H23Cl2NOS
Molecular Weight360.35 g/mol
Exact Mass359.09
IUPAC Name3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine
SMILESClc1cccc(Cl)c1CCO[C@@H]1CCCC[C@H]1N1CCSC1
InChIInChI=1S/C17H23Cl2NOS/c18-14-4-3-5-15(19)13(14)8-10-21-17-7-2-1-6-16(17)20-9-11-22-12-20/h3-5,16-17H,1-2,6-12H2/t16-,17-/m1/s1
InChIKeyHDTKTGATXZRRTG-IAGOWNOFSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine?
The IUPAC name of 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine (CID 10473668) is 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine?
The canonical SMILES for 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine is Clc1cccc(Cl)c1CCO[C@@H]1CCCC[C@H]1N1CCSC1.
What is the InChIKey of 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine?
The InChIKey is HDTKTGATXZRRTG-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23Cl2NOS/c18-14-4-3-5-15(19)13(14)8-10-21-17-7-2-1-6-16(17)20-9-11-22-12-20/h3-5,16-17H,1-2,6-12H2/t16-,17-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine?
3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine has a molecular weight of 360.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]-1,3-thiazolidine is sourced from PubChem (CID 10473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).