3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

C17H27N3OS — CID 23822864

IUPAC3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCN1C(=O)CSC1c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27N3OS/c1-5-19(6-2)11-12-20-16(21)13-22-17(20)14-7-9-15(10-8-14)18(3)4/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyJUCFDLIZJPVFER-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.67
Rot. Bonds7

About 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (PubChem CID 23822864) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
PubChem CID23822864
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCN1C(=O)CSC1c1ccc(N(C)C)cc1
InChIInChI=1S/C17H27N3OS/c1-5-19(6-2)11-12-20-16(21)13-22-17(20)14-7-9-15(10-8-14)18(3)4/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyJUCFDLIZJPVFER-UHFFFAOYSA-N
XLogP2.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (CID 23822864) is 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is CCN(CC)CCN1C(=O)CSC1c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is JUCFDLIZJPVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-5-19(6-2)11-12-20-16(21)13-22-17(20)14-7-9-15(10-8-14)18(3)4/h7-10,17H,5-6,11-13H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 321.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23822864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).