[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone

C22H26FNOS — CID 7350573

IUPAC[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
SMILESCCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C22H26FNOS/c1-2-3-4-5-8-17-11-13-18(14-12-17)21(25)24-15-16-26-22(24)19-9-6-7-10-20(19)23/h6-7,9-14,22H,2-5,8,15-16H2,1H3/t22-/m1/s1
InChIKeyYONLLFARDSLZDQ-JOCHJYFZSA-N
MW371.52 g/mol
LogP5.84
Rot. Bonds7

About [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone

[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone (PubChem CID 7350573) has the molecular formula C22H26FNOS and a molecular weight of 371.52 g/mol. Its IUPAC name is [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
PubChem CID7350573
Molecular FormulaC22H26FNOS
Molecular Weight371.52 g/mol
Exact Mass371.17
IUPAC Name[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
SMILESCCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C22H26FNOS/c1-2-3-4-5-8-17-11-13-18(14-12-17)21(25)24-15-16-26-22(24)19-9-6-7-10-20(19)23/h6-7,9-14,22H,2-5,8,15-16H2,1H3/t22-/m1/s1
InChIKeyYONLLFARDSLZDQ-JOCHJYFZSA-N
XLogP5.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-pentylphenyl)methanone
CID 4206772
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 7260189
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482577
(2R)-2-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7499220

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The IUPAC name of [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone (CID 7350573) is [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The canonical SMILES for [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone is CCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The InChIKey is YONLLFARDSLZDQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26FNOS/c1-2-3-4-5-8-17-11-13-18(14-12-17)21(25)24-15-16-26-22(24)19-9-6-7-10-20(19)23/h6-7,9-14,22H,2-5,8,15-16H2,1H3/t22-/m1/s1.
What are the key properties of [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone has a molecular weight of 371.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone is sourced from PubChem (CID 7350573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).