1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone

C15H22N2O2S — CID 13178908

IUPAC1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccccc1OCCN(C)C
InChIInChI=1S/C15H22N2O2S/c1-12(18)17-9-11-20-15(17)13-6-4-5-7-14(13)19-10-8-16(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyCQTHXNPUMGNHSD-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone

1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 13178908) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID13178908
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccccc1OCCN(C)C
InChIInChI=1S/C15H22N2O2S/c1-12(18)17-9-11-20-15(17)13-6-4-5-7-14(13)19-10-8-16(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyCQTHXNPUMGNHSD-UHFFFAOYSA-N
XLogP2.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone (CID 13178908) is 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CCSC1c1ccccc1OCCN(C)C.
What is the InChIKey of 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is CQTHXNPUMGNHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(18)17-9-11-20-15(17)13-6-4-5-7-14(13)19-10-8-16(2)3/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone?
1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 13178908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).