(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C18H18Cl2N2O3S — CID 1025688

IUPAC(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-12-8-11(9-13(10-12)25-2)17-22(6-7-26-17)18(23)21-16-14(19)4-3-5-15(16)20/h3-5,8-10,17H,6-7H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyHSGGUPQQOHGDKT-QGZVFWFLSA-N
MW413.33 g/mol
LogP5.29
Rot. Bonds4

About (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025688) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025688
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-12-8-11(9-13(10-12)25-2)17-22(6-7-26-17)18(23)21-16-14(19)4-3-5-15(16)20/h3-5,8-10,17H,6-7H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyHSGGUPQQOHGDKT-QGZVFWFLSA-N
XLogP5.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 46125574

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025688) is (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is HSGGUPQQOHGDKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-24-12-8-11(9-13(10-12)25-2)17-22(6-7-26-17)18(23)21-16-14(19)4-3-5-15(16)20/h3-5,8-10,17H,6-7H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).