1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

C16H23NO3S — CID 7361597

IUPAC1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H23NO3S/c1-4-5-6-15(18)17-9-10-21-16(17)13-8-7-12(19-2)11-14(13)20-3/h7-8,11,16H,4-6,9-10H2,1-3H3/t16-/m0/s1
InChIKeyHRUIXMZMBZFYMG-INIZCTEOSA-N
MW309.43 g/mol
LogP3.47
Rot. Bonds6

About 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one

1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 7361597) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID7361597
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCS[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H23NO3S/c1-4-5-6-15(18)17-9-10-21-16(17)13-8-7-12(19-2)11-14(13)20-3/h7-8,11,16H,4-6,9-10H2,1-3H3/t16-/m0/s1
InChIKeyHRUIXMZMBZFYMG-INIZCTEOSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 3320188
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5082460
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 7361597) is 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CCS[C@H]1c1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is HRUIXMZMBZFYMG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-5-6-15(18)17-9-10-21-16(17)13-8-7-12(19-2)11-14(13)20-3/h7-8,11,16H,4-6,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 309.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 7361597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).