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

C10H9N3O2S — CID 162399982

IUPAC2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)c2[nH]ncc2CN1c1ccccc1
InChIInChI=1S/C10H9N3O2S/c14-16(15)10-8(6-11-12-10)7-13(16)9-4-2-1-3-5-9/h1-6H,7H2,(H,11,12)
InChIKeyUDQUWWDTMDCQAG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.12
Rot. Bonds1

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

2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (PubChem CID 162399982) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
PubChem CID162399982
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide
SMILESO=S1(=O)c2[nH]ncc2CN1c1ccccc1
InChIInChI=1S/C10H9N3O2S/c14-16(15)10-8(6-11-12-10)7-13(16)9-4-2-1-3-5-9/h1-6H,7H2,(H,11,12)
InChIKeyUDQUWWDTMDCQAG-UHFFFAOYSA-N
XLogP1.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide (CID 162399982) is 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is O=S1(=O)c2[nH]ncc2CN1c1ccccc1.
What is the InChIKey of 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
The InChIKey is UDQUWWDTMDCQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-16(15)10-8(6-11-12-10)7-13(16)9-4-2-1-3-5-9/h1-6H,7H2,(H,11,12).
What are the key properties of 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide?
2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide has a molecular weight of 235.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,6-dihydropyrazolo[4,5-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 162399982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).