N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide

C10H6F2N4O2S2 — CID 21279526

IUPACN-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1nc2sccn2n1
InChIInChI=1S/C10H6F2N4O2S2/c11-6-2-1-3-7(12)8(6)15-20(17,18)9-13-10-16(14-9)4-5-19-10/h1-5,15H
InChIKeyVYQQTDNJKOAHJP-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.87
Rot. Bonds3

About N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide

N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide (PubChem CID 21279526) has the molecular formula C10H6F2N4O2S2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide
PubChem CID21279526
Molecular FormulaC10H6F2N4O2S2
Molecular Weight316.31 g/mol
Exact Mass315.99
IUPAC NameN-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1nc2sccn2n1
InChIInChI=1S/C10H6F2N4O2S2/c11-6-2-1-3-7(12)8(6)15-20(17,18)9-13-10-16(14-9)4-5-19-10/h1-5,15H
InChIKeyVYQQTDNJKOAHJP-UHFFFAOYSA-N
XLogP1.87
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide (CID 21279526) is N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1nc2sccn2n1.
What is the InChIKey of N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide?
The InChIKey is VYQQTDNJKOAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O2S2/c11-6-2-1-3-7(12)8(6)15-20(17,18)9-13-10-16(14-9)4-5-19-10/h1-5,15H.
What are the key properties of N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide?
N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide has a molecular weight of 316.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide is sourced from PubChem (CID 21279526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).