N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine

C14H8Cl2N2S — CID 57169234

IUPACN-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine
SMILESClc1cccc(Cl)c1C=Nc1nc2ccccc2s1
InChIInChI=1S/C14H8Cl2N2S/c15-10-4-3-5-11(16)9(10)8-17-14-18-12-6-1-2-7-13(12)19-14/h1-8H
InChIKeyRTBJFKGBPKKAQV-UHFFFAOYSA-N
MW307.21 g/mol
LogP5.35
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine

N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine (PubChem CID 57169234) has the molecular formula C14H8Cl2N2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine
PubChem CID57169234
Molecular FormulaC14H8Cl2N2S
Molecular Weight307.21 g/mol
Exact Mass305.98
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine
SMILESClc1cccc(Cl)c1C=Nc1nc2ccccc2s1
InChIInChI=1S/C14H8Cl2N2S/c15-10-4-3-5-11(16)9(10)8-17-14-18-12-6-1-2-7-13(12)19-14/h1-8H
InChIKeyRTBJFKGBPKKAQV-UHFFFAOYSA-N
XLogP5.35
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.21
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine 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-(1,3-benzothiazol-2-yl)ethanimine
CID 1083282
4-(1,3-benzothiazol-2-yliminomethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 4859511
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 135608237
(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
CID 14963060
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135657795
2-(1,3-benzothiazol-2-yliminomethyl)-6-nitrophenol
CID 135953850
N-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 732578
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427
(4E)-4-(1,3-benzothiazol-2-ylimino)butan-2-one
CID 21205395
2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenol
CID 584602
N-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-nitrophenyl)methanimine
CID 2832836
4-(1,3-benzothiazol-2-yliminomethyl)-2-(2-bromophenyl)-1,3-oxazol-5-ol
CID 3874219

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine (CID 57169234) is N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine is Clc1cccc(Cl)c1C=Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine?
The InChIKey is RTBJFKGBPKKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2S/c15-10-4-3-5-11(16)9(10)8-17-14-18-12-6-1-2-7-13(12)19-14/h1-8H.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine?
N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine has a molecular weight of 307.21 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine is sourced from PubChem (CID 57169234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).