2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

C18H21N5OS — CID 3239720

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1
InChIInChI=1S/C18H21N5OS/c1-5-22(15-8-6-7-12(2)9-15)16(24)11-25-18-20-17-19-13(3)10-14(4)23(17)21-18/h6-10H,5,11H2,1-4H3
InChIKeyYQTLBNLZGZDZCJ-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.19
Rot. Bonds5

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 3239720) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID3239720
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1
InChIInChI=1S/C18H21N5OS/c1-5-22(15-8-6-7-12(2)9-15)16(24)11-25-18-20-17-19-13(3)10-14(4)23(17)21-18/h6-10H,5,11H2,1-4H3
InChIKeyYQTLBNLZGZDZCJ-UHFFFAOYSA-N
XLogP3.19
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)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-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 3239720) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is YQTLBNLZGZDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-5-22(15-8-6-7-12(2)9-15)16(24)11-25-18-20-17-19-13(3)10-14(4)23(17)21-18/h6-10H,5,11H2,1-4H3.
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 355.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3239720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).