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

C20H15F2N5O2S — CID 16820022

IUPACN'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H15F2N5O2S/c21-13-7-5-12(6-8-13)17-25-20-27(26-17)14(11-30-20)9-10-23-18(28)19(29)24-16-4-2-1-3-15(16)22/h1-8,11H,9-10H2,(H,23,28)(H,24,29)
InChIKeyAVSIJHKAHNPTIX-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.03
Rot. Bonds5

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

N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (PubChem CID 16820022) has the molecular formula C20H15F2N5O2S and a molecular weight of 427.44 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
PubChem CID16820022
Molecular FormulaC20H15F2N5O2S
Molecular Weight427.44 g/mol
Exact Mass427.09
IUPAC NameN'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H15F2N5O2S/c21-13-7-5-12(6-8-13)17-25-20-27(26-17)14(11-30-20)9-10-23-18(28)19(29)24-16-4-2-1-3-15(16)22/h1-8,11H,9-10H2,(H,23,28)(H,24,29)
InChIKeyAVSIJHKAHNPTIX-UHFFFAOYSA-N
XLogP3.03
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide (CID 16820022) is N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
The InChIKey is AVSIJHKAHNPTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2S/c21-13-7-5-12(6-8-13)17-25-20-27(26-17)14(11-30-20)9-10-23-18(28)19(29)24-16-4-2-1-3-15(16)22/h1-8,11H,9-10H2,(H,23,28)(H,24,29).
What are the key properties of N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide?
N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide has a molecular weight of 427.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide is sourced from PubChem (CID 16820022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).