2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C23H29FN2O3S — CID 93116678

IUPAC2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1F
InChIInChI=1S/C23H29FN2O3S/c1-28-14-5-12-25(16-19-6-3-4-7-21(19)24)17-22(27)26-13-15-30-23(26)18-8-10-20(29-2)11-9-18/h3-4,6-11,23H,5,12-17H2,1-2H3/t23-/m1/s1
InChIKeyUTCQBELQLOZHEI-HSZRJFAPSA-N
MW432.56 g/mol
LogP3.95
Rot. Bonds10

About 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 93116678) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID93116678
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1F
InChIInChI=1S/C23H29FN2O3S/c1-28-14-5-12-25(16-19-6-3-4-7-21(19)24)17-22(27)26-13-15-30-23(26)18-8-10-20(29-2)11-9-18/h3-4,6-11,23H,5,12-17H2,1-2H3/t23-/m1/s1
InChIKeyUTCQBELQLOZHEI-HSZRJFAPSA-N
XLogP3.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]acetate
CID 93116698
ethyl (2R)-2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]propanoate
CID 7499435
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 42796952
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331472
2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122331404
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
(4-ethoxy-4-oxobutyl)-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)azanium
CID 7405956
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 93116678) is 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is COCCCN(CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is UTCQBELQLOZHEI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-28-14-5-12-25(16-19-6-3-4-7-21(19)24)17-22(27)26-13-15-30-23(26)18-8-10-20(29-2)11-9-18/h3-4,6-11,23H,5,12-17H2,1-2H3/t23-/m1/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 432.56 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 93116678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).