2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

C19H14Cl2N4O3S — CID 108752643

IUPAC2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)COc3cc(Cl)ccc3Cl)nn12
InChIInChI=1S/C19H14Cl2N4O3S/c1-27-15-5-3-2-4-12(15)14-10-29-19-23-18(24-25(14)19)22-17(26)9-28-16-8-11(20)6-7-13(16)21/h2-8,10H,9H2,1H3,(H,22,24,26)
InChIKeyVQUMYUKJCTWKRG-UHFFFAOYSA-N
MW449.32 g/mol
LogP4.79
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (PubChem CID 108752643) has the molecular formula C19H14Cl2N4O3S and a molecular weight of 449.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
PubChem CID108752643
Molecular FormulaC19H14Cl2N4O3S
Molecular Weight449.32 g/mol
Exact Mass448.02
IUPAC Name2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)COc3cc(Cl)ccc3Cl)nn12
InChIInChI=1S/C19H14Cl2N4O3S/c1-27-15-5-3-2-4-12(15)14-10-29-19-23-18(24-25(14)19)22-17(26)9-28-16-8-11(20)6-7-13(16)21/h2-8,10H,9H2,1H3,(H,22,24,26)
InChIKeyVQUMYUKJCTWKRG-UHFFFAOYSA-N
XLogP4.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108752647
4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728824
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108728816
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-tert-butyl-4-methylphenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752636
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108728781
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
2-(2,4-dichlorophenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752290
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108764912
4-chloro-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzamide
CID 108728711
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (CID 108752643) is 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is COc1ccccc1-c1csc2nc(NC(=O)COc3cc(Cl)ccc3Cl)nn12.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The InChIKey is VQUMYUKJCTWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3S/c1-27-15-5-3-2-4-12(15)14-10-29-19-23-18(24-25(14)19)22-17(26)9-28-16-8-11(20)6-7-13(16)21/h2-8,10H,9H2,1H3,(H,22,24,26).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide has a molecular weight of 449.32 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is sourced from PubChem (CID 108752643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).