2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide

C19H17N5OS2 — CID 655526

IUPAC2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)n4)n23)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-6-8-14(9-7-12)15-10-26-18-22-23-19(24(15)18)27-11-17(25)21-16-5-3-4-13(2)20-16/h3-10H,11H2,1-2H3,(H,20,21,25)
InChIKeySZBFVDNXMONBOA-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.20
Rot. Bonds5

About 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide

2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 655526) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID655526
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)n4)n23)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-6-8-14(9-7-12)15-10-26-18-22-23-19(24(15)18)27-11-17(25)21-16-5-3-4-13(2)20-16/h3-10H,11H2,1-2H3,(H,20,21,25)
InChIKeySZBFVDNXMONBOA-UHFFFAOYSA-N
XLogP4.20
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)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-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide (CID 655526) is 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide is Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)n4)n23)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is SZBFVDNXMONBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-6-8-14(9-7-12)15-10-26-18-22-23-19(24(15)18)27-11-17(25)21-16-5-3-4-13(2)20-16/h3-10H,11H2,1-2H3,(H,20,21,25).
What are the key properties of 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide?
2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 655526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).