4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

C14H17FN2O2S — CID 51360650

IUPAC4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CC=CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2S/c15-13-5-3-12(4-6-13)9-17-10-14(11-20(17,18)19)16-7-1-2-8-16/h1-6,14H,7-11H2
InChIKeyIGERTZSSWQFMTH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.21
Rot. Bonds3

About 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360650) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID51360650
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CC=CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2S/c15-13-5-3-12(4-6-13)9-17-10-14(11-20(17,18)19)16-7-1-2-8-16/h1-6,14H,7-11H2
InChIKeyIGERTZSSWQFMTH-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 51360650) is 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CC=CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IGERTZSSWQFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c15-13-5-3-12(4-6-13)9-17-10-14(11-20(17,18)19)16-7-1-2-8-16/h1-6,14H,7-11H2.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide?
4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 296.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-2-[(4-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).