2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide

C20H23N5OS — CID 51273211

IUPAC2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCSc1nc2nc(C)c(CC(=O)NC3(c4ccccc4)CCC3)c(C)n2n1
InChIInChI=1S/C20H23N5OS/c1-13-16(14(2)25-18(21-13)22-19(24-25)27-3)12-17(26)23-20(10-7-11-20)15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H,23,26)
InChIKeyIJXSHQKNZFJNLY-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.20
Rot. Bonds5

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide (PubChem CID 51273211) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide
PubChem CID51273211
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCSc1nc2nc(C)c(CC(=O)NC3(c4ccccc4)CCC3)c(C)n2n1
InChIInChI=1S/C20H23N5OS/c1-13-16(14(2)25-18(21-13)22-19(24-25)27-3)12-17(26)23-20(10-7-11-20)15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H,23,26)
InChIKeyIJXSHQKNZFJNLY-UHFFFAOYSA-N
XLogP3.20
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 17427515
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pyridin-2-ylacetamide
CID 18162398
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylpropyl)acetamide
CID 27826614
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 17414679
N-(3-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498993
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32606754
N-(2-anilino-3-methylbutyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55536000
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylacetamide
CID 17411353
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
1-(azetidin-1-yl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 134015615
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 46432757
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,5-dimethylphenyl)acetamide
CID 9042609

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide (CID 51273211) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide is CSc1nc2nc(C)c(CC(=O)NC3(c4ccccc4)CCC3)c(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide?
The InChIKey is IJXSHQKNZFJNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-16(14(2)25-18(21-13)22-19(24-25)27-3)12-17(26)23-20(10-7-11-20)15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H,23,26).
What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide?
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide has a molecular weight of 381.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylcyclobutyl)acetamide is sourced from PubChem (CID 51273211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).