N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C18H19FN6O2S2 — CID 71806052

IUPACN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C18H19FN6O2S2/c1-11-16(12(2)24(3)22-11)29(26,27)20-9-8-13-10-28-18-21-17(23-25(13)18)14-6-4-5-7-15(14)19/h4-7,10,20H,8-9H2,1-3H3
InChIKeyXIDDVTVQNXHANV-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.47
Rot. Bonds6

About N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806052) has the molecular formula C18H19FN6O2S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806052
Molecular FormulaC18H19FN6O2S2
Molecular Weight434.52 g/mol
Exact Mass434.10
IUPAC NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C18H19FN6O2S2/c1-11-16(12(2)24(3)22-11)29(26,27)20-9-8-13-10-28-18-21-17(23-25(13)18)14-6-4-5-7-15(14)19/h4-7,10,20H,8-9H2,1-3H3
InChIKeyXIDDVTVQNXHANV-UHFFFAOYSA-N
XLogP2.47
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806052) is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XIDDVTVQNXHANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S2/c1-11-16(12(2)24(3)22-11)29(26,27)20-9-8-13-10-28-18-21-17(23-25(13)18)14-6-4-5-7-15(14)19/h4-7,10,20H,8-9H2,1-3H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 434.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).