2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one

C14H19ClN2OS — CID 42795890

IUPAC2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
SMILESCNCCCN1C(=O)C(C)SC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-10-13(18)17(9-5-8-16-2)14(19-10)11-6-3-4-7-12(11)15/h3-4,6-7,10,14,16H,5,8-9H2,1-2H3
InChIKeyOALZQBPAXRRARN-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one

2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 42795890) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID42795890
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
SMILESCNCCCN1C(=O)C(C)SC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2OS/c1-10-13(18)17(9-5-8-16-2)14(19-10)11-6-3-4-7-12(11)15/h3-4,6-7,10,14,16H,5,8-9H2,1-2H3
InChIKeyOALZQBPAXRRARN-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-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 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one (CID 42795890) is 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one is CNCCCN1C(=O)C(C)SC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is OALZQBPAXRRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-10-13(18)17(9-5-8-16-2)14(19-10)11-6-3-4-7-12(11)15/h3-4,6-7,10,14,16H,5,8-9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 298.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).