4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

C16H15N3OS — CID 6063895

IUPAC4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCc1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)15(20)17-18-16-19(2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3,(H,17,20)/b18-16-
InChIKeyXAMNTWQBSKSGME-VLGSPTGOSA-N
MW297.38 g/mol
LogP2.79
Rot. Bonds2

About 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (PubChem CID 6063895) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
PubChem CID6063895
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCc1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)15(20)17-18-16-19(2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3,(H,17,20)/b18-16-
InChIKeyXAMNTWQBSKSGME-VLGSPTGOSA-N
XLogP2.79
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide 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 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (CID 6063895) is 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is Cc1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The InChIKey is XAMNTWQBSKSGME-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)15(20)17-18-16-19(2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3,(H,17,20)/b18-16-.
What are the key properties of 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide has a molecular weight of 297.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is sourced from PubChem (CID 6063895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).