2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C20H21FN2OS — CID 9248015

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CN1CCc2ccccc2C1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C20H21FN2OS/c21-18-8-4-3-7-17(18)20-23(11-12-25-20)19(24)14-22-10-9-15-5-1-2-6-16(15)13-22/h1-8,20H,9-14H2/t20-/m0/s1
InChIKeySYFUGSLLGPAOPE-FQEVSTJZSA-N
MW356.47 g/mol
LogP3.46
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 9248015) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID9248015
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CN1CCc2ccccc2C1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C20H21FN2OS/c21-18-8-4-3-7-17(18)20-23(11-12-25-20)19(24)14-22-10-9-15-5-1-2-6-16(15)13-22/h1-8,20H,9-14H2/t20-/m0/s1
InChIKeySYFUGSLLGPAOPE-FQEVSTJZSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 41170266
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767243
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767239
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248185
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9362611
5-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 25399341
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41176177
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 9248015) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(CN1CCc2ccccc2C1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is SYFUGSLLGPAOPE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN2OS/c21-18-8-4-3-7-17(18)20-23(11-12-25-20)19(24)14-22-10-9-15-5-1-2-6-16(15)13-22/h1-8,20H,9-14H2/t20-/m0/s1.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 9248015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).