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

C18H13F6NOS — CID 7398446

IUPAC[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NOS/c19-17(20,21)13-5-1-3-11(9-13)15(26)25-7-8-27-16(25)12-4-2-6-14(10-12)18(22,23)24/h1-6,9-10,16H,7-8H2/t16-/m1/s1
InChIKeyMGIHJBQHVWPNJB-MRXNPFEDSA-N
MW405.36 g/mol
LogP5.61
Rot. Bonds2

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

[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 7398446) has the molecular formula C18H13F6NOS and a molecular weight of 405.36 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID7398446
Molecular FormulaC18H13F6NOS
Molecular Weight405.36 g/mol
Exact Mass405.06
IUPAC Name[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NOS/c19-17(20,21)13-5-1-3-11(9-13)15(26)25-7-8-27-16(25)12-4-2-6-14(10-12)18(22,23)24/h1-6,9-10,16H,7-8H2/t16-/m1/s1
InChIKeyMGIHJBQHVWPNJB-MRXNPFEDSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(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
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
(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
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 7398446) is [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is MGIHJBQHVWPNJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H13F6NOS/c19-17(20,21)13-5-1-3-11(9-13)15(26)25-7-8-27-16(25)12-4-2-6-14(10-12)18(22,23)24/h1-6,9-10,16H,7-8H2/t16-/m1/s1.
What are the key properties of [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 405.36 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7398446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).