1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

C21H25NO2S — CID 7263286

IUPAC1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2S/c1-2-3-9-20(23)22-14-15-25-21(22)18-10-12-19(13-11-18)24-16-17-7-5-4-6-8-17/h4-8,10-13,21H,2-3,9,14-16H2,1H3/t21-/m1/s1
InChIKeyNPHYNQJFWWZYMK-OAQYLSRUSA-N
MW355.50 g/mol
LogP5.03
Rot. Bonds7

About 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 7263286) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID7263286
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2S/c1-2-3-9-20(23)22-14-15-25-21(22)18-10-12-19(13-11-18)24-16-17-7-5-4-6-8-17/h4-8,10-13,21H,2-3,9,14-16H2,1H3/t21-/m1/s1
InChIKeyNPHYNQJFWWZYMK-OAQYLSRUSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
CID 42781042

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 7263286) is 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is NPHYNQJFWWZYMK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-2-3-9-20(23)22-14-15-25-21(22)18-10-12-19(13-11-18)24-16-17-7-5-4-6-8-17/h4-8,10-13,21H,2-3,9,14-16H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 355.50 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 7263286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).