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

C24H19FN4O2S2 — CID 22584384

IUPACN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FN4O2S2/c25-20-10-6-19(7-11-20)23-27-24-29(28-23)21(16-32-24)14-15-26-33(30,31)22-12-8-18(9-13-22)17-4-2-1-3-5-17/h1-13,16,26H,14-15H2
InChIKeyHZSXYERGDKDPBZ-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.78
Rot. Bonds7

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

N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 22584384) has the molecular formula C24H19FN4O2S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
PubChem CID22584384
Molecular FormulaC24H19FN4O2S2
Molecular Weight478.57 g/mol
Exact Mass478.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19FN4O2S2/c25-20-10-6-19(7-11-20)23-27-24-29(28-23)21(16-32-24)14-15-26-33(30,31)22-12-8-18(9-13-22)17-4-2-1-3-5-17/h1-13,16,26H,14-15H2
InChIKeyHZSXYERGDKDPBZ-UHFFFAOYSA-N
XLogP4.78
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 7244498
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584380
3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584379
4-methoxy-3-methyl-N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 22584332
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-phenyloxamide
CID 7216247
4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
CID 22584837
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22584390
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
3,4-dimethyl-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 20965799
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide (CID 22584384) is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is HZSXYERGDKDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S2/c25-20-10-6-19(7-11-20)23-27-24-29(28-23)21(16-32-24)14-15-26-33(30,31)22-12-8-18(9-13-22)17-4-2-1-3-5-17/h1-13,16,26H,14-15H2.
What are the key properties of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide?
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 478.57 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 22584384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).