2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide

C22H26Cl2N2OS — CID 3418424

IUPAC2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2OS/c1-13(2)16-6-5-7-17(14(3)4)20(16)25-22(27)26-10-11-28-21(26)18-9-8-15(23)12-19(18)24/h5-9,12-14,21H,10-11H2,1-4H3,(H,25,27)
InChIKeyRFDIRSXBZVWIMD-UHFFFAOYSA-N
MW437.44 g/mol
LogP7.52
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide

2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 3418424) has the molecular formula C22H26Cl2N2OS and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID3418424
Molecular FormulaC22H26Cl2N2OS
Molecular Weight437.44 g/mol
Exact Mass436.11
IUPAC Name2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2OS/c1-13(2)16-6-5-7-17(14(3)4)20(16)25-22(27)26-10-11-28-21(26)18-9-8-15(23)12-19(18)24/h5-9,12-14,21H,10-11H2,1-4H3,(H,25,27)
InChIKeyRFDIRSXBZVWIMD-UHFFFAOYSA-N
XLogP7.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
N-[2,6-di(propan-2-yl)phenyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
CID 4122969
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 122331018
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 93115048
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 122331003
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 3418424) is 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is RFDIRSXBZVWIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2OS/c1-13(2)16-6-5-7-17(14(3)4)20(16)25-22(27)26-10-11-28-21(26)18-9-8-15(23)12-19(18)24/h5-9,12-14,21H,10-11H2,1-4H3,(H,25,27).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide?
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3418424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).