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

C16H23NO3S — CID 3320188

IUPAC1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCSC1c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO3S/c1-4-5-9-14(18)17-10-11-21-16(17)12-7-6-8-13(19-2)15(12)20-3/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyMJPDGWDGSCGUFX-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.47
Rot. Bonds6

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

1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 3320188) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID3320188
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCCCC(=O)N1CCSC1c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO3S/c1-4-5-9-14(18)17-10-11-21-16(17)12-7-6-8-13(19-2)15(12)20-3/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyMJPDGWDGSCGUFX-UHFFFAOYSA-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-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
(3R)-1-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,5,5-trimethylhexan-1-one
CID 7249402
(3-bromophenyl)-[(2R)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7217585
(2S)-2-(2,3-dimethoxyphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7236871
(4-bromophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7400369
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
(3-chlorophenyl)-[(2S)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7398635
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4200428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 3320188) is 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is CCCCC(=O)N1CCSC1c1cccc(OC)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is MJPDGWDGSCGUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-5-9-14(18)17-10-11-21-16(17)12-7-6-8-13(19-2)15(12)20-3/h6-8,16H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one?
1-[2-(2,3-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-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 3320188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).