3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C19H30N2O4S — CID 23794155

IUPAC3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4S/c1-6-20(7-2)9-8-10-21-17(22)13-26-19(21)14-11-15(23-3)18(25-5)16(12-14)24-4/h11-12,19H,6-10,13H2,1-5H3
InChIKeyGSKJTQZABKQSQE-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.02
Rot. Bonds10

About 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 23794155) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID23794155
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H30N2O4S/c1-6-20(7-2)9-8-10-21-17(22)13-26-19(21)14-11-15(23-3)18(25-5)16(12-14)24-4/h11-12,19H,6-10,13H2,1-5H3
InChIKeyGSKJTQZABKQSQE-UHFFFAOYSA-N
XLogP3.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 23794155) is 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is CCN(CC)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GSKJTQZABKQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-6-20(7-2)9-8-10-21-17(22)13-26-19(21)14-11-15(23-3)18(25-5)16(12-14)24-4/h11-12,19H,6-10,13H2,1-5H3.
What are the key properties of 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 382.53 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23794155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).