3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide

C11H11N3O2S — CID 162400105

IUPAC3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESCC1c2cn[nH]c2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-8-10-7-12-13-11(10)17(15,16)14(8)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13)
InChIKeyRXMPOLYFQNPVFT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.68
Rot. Bonds1

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

3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (PubChem CID 162400105) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
PubChem CID162400105
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESCC1c2cn[nH]c2S(=O)(=O)N1c1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-8-10-7-12-13-11(10)17(15,16)14(8)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13)
InChIKeyRXMPOLYFQNPVFT-UHFFFAOYSA-N
XLogP1.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (CID 162400105) is 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is CC1c2cn[nH]c2S(=O)(=O)N1c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The InChIKey is RXMPOLYFQNPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8-10-7-12-13-11(10)17(15,16)14(8)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13).
What are the key properties of 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide has a molecular weight of 249.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 162400105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).