2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

C18H19N3OS — CID 7928815

IUPAC2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCc1ccc(CC(=O)N/N=c2/sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H19N3OS/c1-12-8-9-14(10-13(12)2)11-17(22)19-20-18-21(3)15-6-4-5-7-16(15)23-18/h4-10H,11H2,1-3H3,(H,19,22)/b20-18+
InChIKeyQAJWNRWRKITFDP-CZIZESTLSA-N
MW325.44 g/mol
LogP3.03
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (PubChem CID 7928815) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
PubChem CID7928815
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCc1ccc(CC(=O)N/N=c2/sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H19N3OS/c1-12-8-9-14(10-13(12)2)11-17(22)19-20-18-21(3)15-6-4-5-7-16(15)23-18/h4-10H,11H2,1-3H3,(H,19,22)/b20-18+
InChIKeyQAJWNRWRKITFDP-CZIZESTLSA-N
XLogP3.03
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]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-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (CID 7928815) is 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is Cc1ccc(CC(=O)N/N=c2/sc3ccccc3n2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The InChIKey is QAJWNRWRKITFDP-CZIZESTLSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-8-9-14(10-13(12)2)11-17(22)19-20-18-21(3)15-6-4-5-7-16(15)23-18/h4-10H,11H2,1-3H3,(H,19,22)/b20-18+.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide has a molecular weight of 325.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 7928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).