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

C18H18Cl2N2O3S — CID 4200428

IUPACN-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cccc(C2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1OC
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-14-8-3-5-11(16(14)25-2)17-22(9-10-26-17)18(23)21-13-7-4-6-12(19)15(13)20/h3-8,17H,9-10H2,1-2H3,(H,21,23)
InChIKeyGPZIKMVVZMIROS-UHFFFAOYSA-N
MW413.33 g/mol
LogP5.29
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4200428) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4200428
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cccc(C2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1OC
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-14-8-3-5-11(16(14)25-2)17-22(9-10-26-17)18(23)21-13-7-4-6-12(19)15(13)20/h3-8,17H,9-10H2,1-2H3,(H,21,23)
InChIKeyGPZIKMVVZMIROS-UHFFFAOYSA-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

N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188
(2S)-2-(2,3-dimethoxyphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7236871
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
N-(2,3-dichlorophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 42781193
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 3320188
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 4200428) is N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cccc(C2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1OC.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is GPZIKMVVZMIROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-24-14-8-3-5-11(16(14)25-2)17-22(9-10-26-17)18(23)21-13-7-4-6-12(19)15(13)20/h3-8,17H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(2,3-dichlorophenyl)-2-(2,3-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 N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4200428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).