3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride

C16H24ClN3O3S — CID 2881463

IUPAC3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CSC1c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-3-17(4-2)10-5-11-18-15(20)12-23-16(18)13-6-8-14(9-7-13)19(21)22;/h6-9,16H,3-5,10-12H2,1-2H3;1H
InChIKeyWWEKRRGTEGULCK-UHFFFAOYSA-N
MW373.91 g/mol
LogP3.32
Rot. Bonds8

About 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride

3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2881463) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2881463
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCCN(CC)CCCN1C(=O)CSC1c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-3-17(4-2)10-5-11-18-15(20)12-23-16(18)13-6-8-14(9-7-13)19(21)22;/h6-9,16H,3-5,10-12H2,1-2H3;1H
InChIKeyWWEKRRGTEGULCK-UHFFFAOYSA-N
XLogP3.32
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride 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-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2881463) is 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride is CCN(CC)CCCN1C(=O)CSC1c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is WWEKRRGTEGULCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-3-17(4-2)10-5-11-18-15(20)12-23-16(18)13-6-8-14(9-7-13)19(21)22;/h6-9,16H,3-5,10-12H2,1-2H3;1H.
What are the key properties of 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride?
3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2881463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).