N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine

C16H15N3S — CID 9017119

IUPACN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C16H15N3S/c1-11-7-8-13(12(2)9-11)10-17-19-16-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,18,19)/b17-10-
InChIKeyIDATVAZVBZLXPT-YVLHZVERSA-N
MW281.38 g/mol
LogP4.36
Rot. Bonds3

About N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 9017119) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
PubChem CID9017119
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C16H15N3S/c1-11-7-8-13(12(2)9-11)10-17-19-16-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,18,19)/b17-10-
InChIKeyIDATVAZVBZLXPT-YVLHZVERSA-N
XLogP4.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808
bis(2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol);cadmium
CID 135466896
N-[(E)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6868187
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 1396962
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dibromobenzene-1,3-diol
CID 2848685
6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 57395157
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 136691106
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorobenzene-1,3-diol
CID 136787260

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine (CID 9017119) is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine is Cc1ccc(/C=N\Nc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is IDATVAZVBZLXPT-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-7-8-13(12(2)9-11)10-17-19-16-18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 9017119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).