2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

C24H24ClN5OS — CID 15987952

IUPAC2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCc1nc2nc(SCC(=O)NCCc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1
InChIInChI=1S/C24H24ClN5OS/c1-16-21(14-19-6-4-3-5-7-19)17(2)30-23(27-16)28-24(29-30)32-15-22(31)26-13-12-18-8-10-20(25)11-9-18/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKeyOOTAYBJQXNACMF-UHFFFAOYSA-N
MW466.01 g/mol
LogP4.44
Rot. Bonds8

About 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 15987952) has the molecular formula C24H24ClN5OS and a molecular weight of 466.01 g/mol. Its IUPAC name is 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID15987952
Molecular FormulaC24H24ClN5OS
Molecular Weight466.01 g/mol
Exact Mass465.14
IUPAC Name2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCc1nc2nc(SCC(=O)NCCc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1
InChIInChI=1S/C24H24ClN5OS/c1-16-21(14-19-6-4-3-5-7-19)17(2)30-23(27-16)28-24(29-30)32-15-22(31)26-13-12-18-8-10-20(25)11-9-18/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKeyOOTAYBJQXNACMF-UHFFFAOYSA-N
XLogP4.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.01
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]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-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 15987952) is 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide is Cc1nc2nc(SCC(=O)NCCc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1.
What is the InChIKey of 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is OOTAYBJQXNACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5OS/c1-16-21(14-19-6-4-3-5-7-19)17(2)30-23(27-16)28-24(29-30)32-15-22(31)26-13-12-18-8-10-20(25)11-9-18/h3-11H,12-15H2,1-2H3,(H,26,31).
What are the key properties of 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 466.01 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 15987952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).