N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide

C18H12Cl2N4O2S — CID 108728583

IUPACN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C18H12Cl2N4O2S/c19-11-6-7-13(14(20)8-11)15-10-27-18-22-17(23-24(15)18)21-16(25)9-26-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,21,23,25)
InChIKeyVBKQNKKUHJMOSN-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.78
Rot. Bonds5

About N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide

N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide (PubChem CID 108728583) has the molecular formula C18H12Cl2N4O2S and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
PubChem CID108728583
Molecular FormulaC18H12Cl2N4O2S
Molecular Weight419.29 g/mol
Exact Mass418.01
IUPAC NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C18H12Cl2N4O2S/c19-11-6-7-13(14(20)8-11)15-10-27-18-22-17(23-24(15)18)21-16(25)9-26-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,21,23,25)
InChIKeyVBKQNKKUHJMOSN-UHFFFAOYSA-N
XLogP4.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.78
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
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728432
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-naphthalen-2-yloxybutanamide
CID 108752526
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728630
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672
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]thiophene-2-carboxamide
CID 108728681
2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752290
(E)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]but-2-enamide
CID 108752442
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108764912
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108728639
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide (CID 108728583) is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide?
The InChIKey is VBKQNKKUHJMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S/c19-11-6-7-13(14(20)8-11)15-10-27-18-22-17(23-24(15)18)21-16(25)9-26-12-4-2-1-3-5-12/h1-8,10H,9H2,(H,21,23,25).
What are the key properties of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide?
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide has a molecular weight of 419.29 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 108728583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).