2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

C15H21FN2OS — CID 24715263

IUPAC2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCC(C)NCCN1C(=O)C(C)SC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2OS/c1-10(2)17-8-9-18-14(19)11(3)20-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyUMLVOJKGCODQCV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 24715263) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID24715263
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCC(C)NCCN1C(=O)C(C)SC1c1ccc(F)cc1
InChIInChI=1S/C15H21FN2OS/c1-10(2)17-8-9-18-14(19)11(3)20-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,15,17H,8-9H2,1-3H3
InChIKeyUMLVOJKGCODQCV-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-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-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (CID 24715263) is 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is CC(C)NCCN1C(=O)C(C)SC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is UMLVOJKGCODQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-10(2)17-8-9-18-14(19)11(3)20-15(18)12-4-6-13(16)7-5-12/h4-7,10-11,15,17H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 296.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).