2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

C17H13Cl2F3N2O2S — CID 122331018

IUPAC2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O2S/c18-10-5-6-11(12(19)9-10)15-24(7-8-27-15)16(25)23-13-3-1-2-4-14(13)26-17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25)
InChIKeyGNVSBLUXUUIVIC-UHFFFAOYSA-N
MW437.27 g/mol
LogP6.17
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide

2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 122331018) has the molecular formula C17H13Cl2F3N2O2S and a molecular weight of 437.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID122331018
Molecular FormulaC17H13Cl2F3N2O2S
Molecular Weight437.27 g/mol
Exact Mass436.00
IUPAC Name2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O2S/c18-10-5-6-11(12(19)9-10)15-24(7-8-27-15)16(25)23-13-3-1-2-4-14(13)26-17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25)
InChIKeyGNVSBLUXUUIVIC-UHFFFAOYSA-N
XLogP6.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.27
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 122331003
(2R)-2-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7440090

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide (CID 122331018) is 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is GNVSBLUXUUIVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2S/c18-10-5-6-11(12(19)9-10)15-24(7-8-27-15)16(25)23-13-3-1-2-4-14(13)26-17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide?
2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 437.27 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122331018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).