3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C17H17N3O2S — CID 54771087

IUPAC3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)n2sc3ncccc3c2=O)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-10-7-11(2)14(12(3)8-10)9-19-17(22)20-16(21)13-5-4-6-18-15(13)23-20/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyAGJUWPUELJLDNW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.14
Rot. Bonds2

About 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 54771087) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID54771087
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)n2sc3ncccc3c2=O)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-10-7-11(2)14(12(3)8-10)9-19-17(22)20-16(21)13-5-4-6-18-15(13)23-20/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyAGJUWPUELJLDNW-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide 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 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 54771087) is 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is Cc1cc(C)c(CNC(=O)n2sc3ncccc3c2=O)c(C)c1.
What is the InChIKey of 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is AGJUWPUELJLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-7-11(2)14(12(3)8-10)9-19-17(22)20-16(21)13-5-4-6-18-15(13)23-20/h4-8H,9H2,1-3H3,(H,19,22).
What are the key properties of 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 54771087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).