[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C17H12Cl2F3NOS — CID 4062611

IUPAC[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F3NOS/c18-12-4-5-13(14(19)9-12)16-23(6-7-25-16)15(24)10-2-1-3-11(8-10)17(20,21)22/h1-5,8-9,16H,6-7H2
InChIKeyZJFGCJHKCLZEDK-UHFFFAOYSA-N
MW406.26 g/mol
LogP5.90
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 4062611) has the molecular formula C17H12Cl2F3NOS and a molecular weight of 406.26 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID4062611
Molecular FormulaC17H12Cl2F3NOS
Molecular Weight406.26 g/mol
Exact Mass405.00
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2F3NOS/c18-12-4-5-13(14(19)9-12)16-23(6-7-25-16)15(24)10-2-1-3-11(8-10)17(20,21)22/h1-5,8-9,16H,6-7H2
InChIKeyZJFGCJHKCLZEDK-UHFFFAOYSA-N
XLogP5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.26
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(2,4-dichlorophenyl)-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7231458
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 4062611) is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZJFGCJHKCLZEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NOS/c18-12-4-5-13(14(19)9-12)16-23(6-7-25-16)15(24)10-2-1-3-11(8-10)17(20,21)22/h1-5,8-9,16H,6-7H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 406.26 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 4062611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).