2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

C15H22FN3O2S — CID 51360634

IUPAC2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C15H22FN3O2S/c1-17-6-8-18(9-7-17)15-11-19(22(20,21)12-15)10-13-2-4-14(16)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyHBMAIDWVMANMRG-UHFFFAOYSA-N
MW327.42 g/mol
LogP0.59
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide

2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360634) has the molecular formula C15H22FN3O2S and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID51360634
Molecular FormulaC15H22FN3O2S
Molecular Weight327.42 g/mol
Exact Mass327.14
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C15H22FN3O2S/c1-17-6-8-18(9-7-17)15-11-19(22(20,21)12-15)10-13-2-4-14(16)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyHBMAIDWVMANMRG-UHFFFAOYSA-N
XLogP0.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide 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)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide (CID 51360634) is 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is CN1CCN(C2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is HBMAIDWVMANMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2S/c1-17-6-8-18(9-7-17)15-11-19(22(20,21)12-15)10-13-2-4-14(16)5-3-13/h2-5,15H,6-12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide?
2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 327.42 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).