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

C18H11Cl2FN4O2S — CID 108752290

IUPAC2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2scc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C18H11Cl2FN4O2S/c19-11-3-6-15(13(20)7-11)27-8-16(26)22-17-23-18-25(24-17)14(9-28-18)10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,24,26)
InChIKeyWBNPXMOLLXMCIU-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.92
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (PubChem CID 108752290) has the molecular formula C18H11Cl2FN4O2S and a molecular weight of 437.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
PubChem CID108752290
Molecular FormulaC18H11Cl2FN4O2S
Molecular Weight437.28 g/mol
Exact Mass436.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc2scc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C18H11Cl2FN4O2S/c19-11-3-6-15(13(20)7-11)27-8-16(26)22-17-23-18-25(24-17)14(9-28-18)10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,24,26)
InChIKeyWBNPXMOLLXMCIU-UHFFFAOYSA-N
XLogP4.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752522
2-(2-ethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728300
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 108728353
2-(3,5-dimethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728379
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728432
5-chloro-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752239
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108728536
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752643
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenoxybutanamide
CID 108752294
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 108811234

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (CID 108752290) is 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nc2scc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The InChIKey is WBNPXMOLLXMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN4O2S/c19-11-3-6-15(13(20)7-11)27-8-16(26)22-17-23-18-25(24-17)14(9-28-18)10-1-4-12(21)5-2-10/h1-7,9H,8H2,(H,22,24,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide has a molecular weight of 437.28 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is sourced from PubChem (CID 108752290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).