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

C20H23NO4S — CID 122345651

IUPAC1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)C(C)Oc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-11-12-26-20(21)15-9-10-17(23-2)18(13-15)24-3/h4-10,13-14,20H,11-12H2,1-3H3
InChIKeyAYNOTVNENIKPMH-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.75
Rot. Bonds6

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

1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one (PubChem CID 122345651) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
PubChem CID122345651
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)C(C)Oc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-11-12-26-20(21)15-9-10-17(23-2)18(13-15)24-3/h4-10,13-14,20H,11-12H2,1-3H3
InChIKeyAYNOTVNENIKPMH-UHFFFAOYSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329128
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832
[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122345707
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122345690
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-fluorophenoxy)propan-1-one
CID 122330180
2-(4-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 42936291
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122345756
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one (CID 122345651) is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one is COc1ccc(C2SCCN2C(=O)C(C)Oc2ccccc2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one?
The InChIKey is AYNOTVNENIKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-14(25-16-7-5-4-6-8-16)19(22)21-11-12-26-20(21)15-9-10-17(23-2)18(13-15)24-3/h4-10,13-14,20H,11-12H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one?
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one has a molecular weight of 373.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 122345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).