N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine

C21H17N3S — CID 10893290

IUPACN-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine
SMILESCc1cc(C)c2nsnc2c1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-14-13-15(2)19-21(24-25-23-19)18(14)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyHGJNBELKQDVYCU-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.48
Rot. Bonds3

About N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine

N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine (PubChem CID 10893290) has the molecular formula C21H17N3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine
PubChem CID10893290
Molecular FormulaC21H17N3S
Molecular Weight343.45 g/mol
Exact Mass343.11
IUPAC NameN-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine
SMILESCc1cc(C)c2nsnc2c1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3S/c1-14-13-15(2)19-21(24-25-23-19)18(14)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyHGJNBELKQDVYCU-UHFFFAOYSA-N
XLogP5.48
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dichloroiron;1-phenyl-1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 22968219
1-phenyl-N-(2,4,6-trimethylphenyl)-1-[1,3,4-trimethyl-5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrrol-2-yl]methanimine
CID 18719151
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
4,7-dimethyl-2,1,3-benzothiadiazole;ethane
CID 144533548
dichloroiron;1-[5-[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968224
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-chloro-6-methylphenyl)-1-phenylmethanimine
CID 162451109
4-[4-[2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]-7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole
CID 123446460
N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
CID 4649996
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
CID 134845676
4-(5-amino-7-methyl-2,1,3-benzothiadiazol-4-yl)-7-methyl-2,1,3-benzothiadiazol-5-amine
CID 166512480
7-benzhydrylidene-4,10-dithia-3,5,9,11-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
CID 10521524

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine (CID 10893290) is N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine is Cc1cc(C)c2nsnc2c1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine?
The InChIKey is HGJNBELKQDVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-14-13-15(2)19-21(24-25-23-19)18(14)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine?
N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine has a molecular weight of 343.45 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-2,1,3-benzothiadiazol-4-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 10893290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).