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

C11H10FN3O2S — CID 162400104

IUPAC2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESCC1c2cn[nH]c2S(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S/c1-7-10-6-13-14-11(10)18(16,17)15(7)9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14)
InChIKeyZGXYCBYZSSBLCB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.82
Rot. Bonds1

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

2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (PubChem CID 162400104) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
PubChem CID162400104
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESCC1c2cn[nH]c2S(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S/c1-7-10-6-13-14-11(10)18(16,17)15(7)9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14)
InChIKeyZGXYCBYZSSBLCB-UHFFFAOYSA-N
XLogP1.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (CID 162400104) is 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is CC1c2cn[nH]c2S(=O)(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The InChIKey is ZGXYCBYZSSBLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-7-10-6-13-14-11(10)18(16,17)15(7)9-4-2-8(12)3-5-9/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
2-(4-fluorophenyl)-3-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide has a molecular weight of 267.29 g/mol, XLogP of 1.82, 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-methyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 162400104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).