3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

C17H22FNOS — CID 7283438

IUPAC3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H22FNOS/c18-15-8-4-3-7-14(15)17-19(11-12-21-17)16(20)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2/t17-/m0/s1
InChIKeyHPJITFUCALWPMP-KRWDZBQOSA-N
MW307.43 g/mol
LogP4.37
Rot. Bonds4

About 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 7283438) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID7283438
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C17H22FNOS/c18-15-8-4-3-7-14(15)17-19(11-12-21-17)16(20)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2/t17-/m0/s1
InChIKeyHPJITFUCALWPMP-KRWDZBQOSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 5011874
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
1-[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122329471
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330728
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9248015
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 9362611
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 40971974
(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477480
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 7260189

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 7283438) is 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is O=C(CCC1CCCC1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is HPJITFUCALWPMP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22FNOS/c18-15-8-4-3-7-14(15)17-19(11-12-21-17)16(20)10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2/t17-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 307.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 7283438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).