3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C15H22N2O2S — CID 2860933

IUPAC3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3
InChIKeyCPILGZZHWWNMTE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.22
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2860933) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2860933
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3
InChIKeyCPILGZZHWWNMTE-UHFFFAOYSA-N
XLogP2.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 2860933) is 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCCN(C)C)cc1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CPILGZZHWWNMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2860933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).