2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

C21H17ClN4O2S — CID 141454206

IUPAC2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3)nn12)NCc1ccccc1Cl
InChIInChI=1S/C21H17ClN4O2S/c22-17-9-5-4-8-15(17)12-23-19(27)11-16-13-29-21-24-20(28)18(25-26(16)21)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,23,27)
InChIKeyBKGHDKSQGZTNHZ-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.25
Rot. Bonds6

About 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 141454206) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID141454206
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3)nn12)NCc1ccccc1Cl
InChIInChI=1S/C21H17ClN4O2S/c22-17-9-5-4-8-15(17)12-23-19(27)11-16-13-29-21-24-20(28)18(25-26(16)21)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,23,27)
InChIKeyBKGHDKSQGZTNHZ-UHFFFAOYSA-N
XLogP3.25
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]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-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 141454206) is 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is O=C(Cc1csc2nc(=O)c(Cc3ccccc3)nn12)NCc1ccccc1Cl.
What is the InChIKey of 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is BKGHDKSQGZTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c22-17-9-5-4-8-15(17)12-23-19(27)11-16-13-29-21-24-20(28)18(25-26(16)21)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,23,27).
What are the key properties of 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 141454206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).