1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one

C17H24FNOS — CID 4163378

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H24FNOS/c1-2-3-4-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(18)11-9-14/h8-11,17H,2-7,12-13H2,1H3
InChIKeyZSTCUGMMKBXQRQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.76
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one

1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one (PubChem CID 4163378) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
PubChem CID4163378
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C17H24FNOS/c1-2-3-4-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(18)11-9-14/h8-11,17H,2-7,12-13H2,1H3
InChIKeyZSTCUGMMKBXQRQ-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.76
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

1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
1-[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]heptan-1-one
CID 7301739
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359545
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]octan-1-one
CID 4160928
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
1-[(2S)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7365110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one (CID 4163378) is 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one is CCCCCCCC(=O)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one?
The InChIKey is ZSTCUGMMKBXQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c1-2-3-4-5-6-7-16(20)19-12-13-21-17(19)14-8-10-15(18)11-9-14/h8-11,17H,2-7,12-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one?
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one has a molecular weight of 309.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one is sourced from PubChem (CID 4163378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).