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

C15H12F3NOS2 — CID 815293

IUPACthiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NOS2/c16-15(17,18)11-5-3-10(4-6-11)14-19(7-9-22-14)13(20)12-2-1-8-21-12/h1-6,8,14H,7,9H2/t14-/m0/s1
InChIKeyFYIZDJWDACNZAC-AWEZNQCLSA-N
MW343.40 g/mol
LogP4.65
Rot. Bonds2

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

thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 815293) has the molecular formula C15H12F3NOS2 and a molecular weight of 343.40 g/mol. Its IUPAC name is thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID815293
Molecular FormulaC15H12F3NOS2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namethiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NOS2/c16-15(17,18)11-5-3-10(4-6-11)14-19(7-9-22-14)13(20)12-2-1-8-21-12/h1-6,8,14H,7,9H2/t14-/m0/s1
InChIKeyFYIZDJWDACNZAC-AWEZNQCLSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 42781134
[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 99985881
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
(2,6-dimethoxyphenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024103
furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 99985470
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 3630788
[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7347840
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
N-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3412390

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone (CID 815293) is thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is O=C(c1cccs1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is FYIZDJWDACNZAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12F3NOS2/c16-15(17,18)11-5-3-10(4-6-11)14-19(7-9-22-14)13(20)12-2-1-8-21-12/h1-6,8,14H,7,9H2/t14-/m0/s1.
What are the key properties of thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone?
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 815293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).