2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

C19H19N3O2S — CID 22634439

IUPAC2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C19H19N3O2S/c1-10-7-11(2)17(12(3)8-10)22-18(24)14-5-6-15-16(9-14)25-19(21-15)20-13(4)23/h5-9H,1-4H3,(H,22,24)(H,20,21,23)
InChIKeySRKQNGLIZXIIAV-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.43
Rot. Bonds3

About 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 22634439) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID22634439
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C19H19N3O2S/c1-10-7-11(2)17(12(3)8-10)22-18(24)14-5-6-15-16(9-14)25-19(21-15)20-13(4)23/h5-9H,1-4H3,(H,22,24)(H,20,21,23)
InChIKeySRKQNGLIZXIIAV-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-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 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 22634439) is 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is CC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1.
What is the InChIKey of 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is SRKQNGLIZXIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-10-7-11(2)17(12(3)8-10)22-18(24)14-5-6-15-16(9-14)25-19(21-15)20-13(4)23/h5-9H,1-4H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 22634439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).