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

C18H18Cl2N2O3S — CID 7328188

IUPAC(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-11-6-7-15(25-2)12(10-11)17-22(8-9-26-17)18(23)21-14-5-3-4-13(19)16(14)20/h3-7,10,17H,8-9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyJZDTZXFRKAJSHA-KRWDZBQOSA-N
MW413.33 g/mol
LogP5.29
Rot. Bonds4

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

(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7328188) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7328188
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H18Cl2N2O3S/c1-24-11-6-7-15(25-2)12(10-11)17-22(8-9-26-17)18(23)21-14-5-3-4-13(19)16(14)20/h3-7,10,17H,8-9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyJZDTZXFRKAJSHA-KRWDZBQOSA-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)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4200428
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
N-(2,3-dichlorophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 42781193

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 7328188) is (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(OC)c([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is JZDTZXFRKAJSHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-24-11-6-7-15(25-2)12(10-11)17-22(8-9-26-17)18(23)21-14-5-3-4-13(19)16(14)20/h3-7,10,17H,8-9H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-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 (2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7328188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).