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

C17H16Cl2N2OS — CID 5211610

IUPACN-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2OS/c18-14-8-4-7-13(15(14)19)16-21(9-10-23-16)17(22)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,20,22)
InChIKeyXJEMBLJUOUIZNW-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.95
Rot. Bonds3

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

N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5211610) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5211610
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC NameN-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2OS/c18-14-8-4-7-13(15(14)19)16-21(9-10-23-16)17(22)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,20,22)
InChIKeyXJEMBLJUOUIZNW-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7416385
N-benzyl-7-(2-chlorophenyl)-1,4-thiazepane-4-carboxamide
CID 90629887
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4200428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (CID 5211610) is N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(NCc1ccccc1)N1CCSC1c1cccc(Cl)c1Cl.
What is the InChIKey of N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is XJEMBLJUOUIZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c18-14-8-4-7-13(15(14)19)16-21(9-10-23-16)17(22)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,20,22).
What are the key properties of N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 367.30 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5211610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).