2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

C16H17ClN4O2S — CID 108751712

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3sc(C)c(C)n3n2)cc(C)c1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-8-5-12(6-9(2)14(8)17)23-7-13(22)18-15-19-16-21(20-15)10(3)11(4)24-16/h5-6H,7H2,1-4H3,(H,18,20,22)
InChIKeyZJKOZKYMTUTNKL-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (PubChem CID 108751712) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
PubChem CID108751712
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3sc(C)c(C)n3n2)cc(C)c1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-8-5-12(6-9(2)14(8)17)23-7-13(22)18-15-19-16-21(20-15)10(3)11(4)24-16/h5-6H,7H2,1-4H3,(H,18,20,22)
InChIKeyZJKOZKYMTUTNKL-UHFFFAOYSA-N
XLogP3.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (CID 108751712) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is Cc1cc(OCC(=O)Nc2nc3sc(C)c(C)n3n2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The InChIKey is ZJKOZKYMTUTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-8-5-12(6-9(2)14(8)17)23-7-13(22)18-15-19-16-21(20-15)10(3)11(4)24-16/h5-6H,7H2,1-4H3,(H,18,20,22).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide has a molecular weight of 364.86 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is sourced from PubChem (CID 108751712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).