3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one

C18H22F3NOS — CID 5011874

IUPAC3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCSC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H22F3NOS/c19-18(20,21)15-8-4-3-7-14(15)17-22(11-12-24-17)16(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2
InChIKeyBJHVBQQVXDXCSD-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.25
Rot. Bonds4

About 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one

3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 5011874) has the molecular formula C18H22F3NOS and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID5011874
Molecular FormulaC18H22F3NOS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCSC1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H22F3NOS/c19-18(20,21)15-8-4-3-7-14(15)17-22(11-12-24-17)16(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2
InChIKeyBJHVBQQVXDXCSD-UHFFFAOYSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330728
1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122329471
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
(2R)-2-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7440090
3-cyclohexyl-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]propan-1-one
CID 121163705
3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329235
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one (CID 5011874) is 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one is O=C(CCC1CCCC1)N1CCSC1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is BJHVBQQVXDXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NOS/c19-18(20,21)15-8-4-3-7-14(15)17-22(11-12-24-17)16(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2.
What are the key properties of 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 357.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 5011874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).