4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline

C21H18N2S — CID 3551243

IUPAC4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2nc3ccc4ccccc4c3s2)cc1
InChIInChI=1S/C21H18N2S/c1-23(2)17-11-7-15(8-12-17)9-14-20-22-19-13-10-16-5-3-4-6-18(16)21(19)24-20/h3-14H,1-2H3
InChIKeyUZNVWZFCMMFXPF-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.69
Rot. Bonds3

About 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline

4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline (PubChem CID 3551243) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
PubChem CID3551243
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2nc3ccc4ccccc4c3s2)cc1
InChIInChI=1S/C21H18N2S/c1-23(2)17-11-7-15(8-12-17)9-14-20-22-19-13-10-16-5-3-4-6-18(16)21(19)24-20/h3-14H,1-2H3
InChIKeyUZNVWZFCMMFXPF-UHFFFAOYSA-N
XLogP5.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
CID 4106372
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199
2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
CID 58659825
N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 54266066
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(Z)-2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)ethenyl]-N,N-dimethylaniline
CID 92933845
4-[2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide
CID 159329200
4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 10896445

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline (CID 3551243) is 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2nc3ccc4ccccc4c3s2)cc1.
What is the InChIKey of 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline?
The InChIKey is UZNVWZFCMMFXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-23(2)17-11-7-15(8-12-17)9-14-20-22-19-13-10-16-5-3-4-6-18(16)21(19)24-20/h3-14H,1-2H3.
What are the key properties of 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline?
4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline has a molecular weight of 330.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline is sourced from PubChem (CID 3551243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).