3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline

C9H11FN2O2S — CID 24688542

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C9H11FN2O2S/c10-8-3-2-7(11)6-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKeyDKVNISKJNLPACR-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.95
Rot. Bonds1

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline (PubChem CID 24688542) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline
PubChem CID24688542
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C9H11FN2O2S/c10-8-3-2-7(11)6-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2
InChIKeyDKVNISKJNLPACR-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline (CID 24688542) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline is Nc1ccc(F)c(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline?
The InChIKey is DKVNISKJNLPACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-8-3-2-7(11)6-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,11H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline has a molecular weight of 230.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroaniline is sourced from PubChem (CID 24688542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).