1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one

C22H27NO2S — CID 7271195

IUPAC1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H27NO2S/c1-2-3-5-14-21(24)23-15-16-26-22(23)19-12-8-9-13-20(19)25-17-18-10-6-4-7-11-18/h4,6-13,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
InChIKeyOEYYRRINEIOFAR-QFIPXVFZSA-N
MW369.53 g/mol
LogP5.42
Rot. Bonds8

About 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one

1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one (PubChem CID 7271195) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
PubChem CID7271195
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H27NO2S/c1-2-3-5-14-21(24)23-15-16-26-22(23)19-12-8-9-13-20(19)25-17-18-10-6-4-7-11-18/h4,6-13,22H,2-3,5,14-17H2,1H3/t22-/m0/s1
InChIKeyOEYYRRINEIOFAR-QFIPXVFZSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
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
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7297696
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935
N-(2-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3443651

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The IUPAC name of 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one (CID 7271195) is 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The canonical SMILES for 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one is CCCCCC(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The InChIKey is OEYYRRINEIOFAR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-2-3-5-14-21(24)23-15-16-26-22(23)19-12-8-9-13-20(19)25-17-18-10-6-4-7-11-18/h4,6-13,22H,2-3,5,14-17H2,1H3/t22-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one has a molecular weight of 369.53 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one is sourced from PubChem (CID 7271195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).