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

C15H12F3NO2S — CID 99985470

IUPACfuran-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-15(17,18)12-3-1-10(2-4-12)14-19(6-8-22-14)13(20)11-5-7-21-9-11/h1-5,7,9,14H,6,8H2/t14-/m0/s1
InChIKeyMTYJACFNTNDGIG-AWEZNQCLSA-N
MW327.33 g/mol
LogP4.19
Rot. Bonds2

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

furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 99985470) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID99985470
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Namefuran-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2S/c16-15(17,18)12-3-1-10(2-4-12)14-19(6-8-22-14)13(20)11-5-7-21-9-11/h1-5,7,9,14H,6,8H2/t14-/m0/s1
InChIKeyMTYJACFNTNDGIG-AWEZNQCLSA-N
XLogP4.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
(2,6-dimethoxyphenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024103
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 5060370
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
N-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3412390
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 99985470) is furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1ccoc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is MTYJACFNTNDGIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c16-15(17,18)12-3-1-10(2-4-12)14-19(6-8-22-14)13(20)11-5-7-21-9-11/h1-5,7,9,14H,6,8H2/t14-/m0/s1.
What are the key properties of furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 327.33 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 99985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).