1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one

C15H21NO3S — CID 7262533

IUPAC1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C15H21NO3S/c1-4-5-14(17)16-8-9-20-15(16)12-10-11(18-2)6-7-13(12)19-3/h6-7,10,15H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyJPBGCPBCWGHDLM-OAHLLOKOSA-N
MW295.40 g/mol
LogP3.08
Rot. Bonds5

About 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one

1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one (PubChem CID 7262533) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
PubChem CID7262533
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C15H21NO3S/c1-4-5-14(17)16-8-9-20-15(16)12-10-11(18-2)6-7-13(12)19-3/h6-7,10,15H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyJPBGCPBCWGHDLM-OAHLLOKOSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.08
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
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122330320
3-chloro-1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 3422650
1-adamantyl-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781031
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122330289

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one?
The IUPAC name of 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one (CID 7262533) is 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one?
The canonical SMILES for 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one is CCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC.
What is the InChIKey of 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one?
The InChIKey is JPBGCPBCWGHDLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-5-14(17)16-8-9-20-15(16)12-10-11(18-2)6-7-13(12)19-3/h6-7,10,15H,4-5,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one?
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one has a molecular weight of 295.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one is sourced from PubChem (CID 7262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).