2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide

C10H8FN3O2S — CID 162399981

IUPAC2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)c2[nH]ncc2CN1c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2S/c11-8-1-3-9(4-2-8)14-6-7-5-12-13-10(7)17(14,15)16/h1-5H,6H2,(H,12,13)
InChIKeyJGRNARNNFYGTLF-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.26
Rot. Bonds1

About 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide

2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (PubChem CID 162399981) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
PubChem CID162399981
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)c2[nH]ncc2CN1c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2S/c11-8-1-3-9(4-2-8)14-6-7-5-12-13-10(7)17(14,15)16/h1-5H,6H2,(H,12,13)
InChIKeyJGRNARNNFYGTLF-UHFFFAOYSA-N
XLogP1.26
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 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)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (CID 162399981) is 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is O=S1(=O)c2[nH]ncc2CN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The InChIKey is JGRNARNNFYGTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-8-1-3-9(4-2-8)14-6-7-5-12-13-10(7)17(14,15)16/h1-5H,6H2,(H,12,13).
What are the key properties of 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide has a molecular weight of 253.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 162399981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).