N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline

C18H18N2S — CID 54266066

IUPACN,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
SMILESCc1ccc2sc(C=Cc3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C18H18N2S/c1-13-4-10-17-16(12-13)19-18(21-17)11-7-14-5-8-15(9-6-14)20(2)3/h4-12H,1-3H3
InChIKeyRGWDIIIOPXKFND-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.84
Rot. Bonds3

About N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline

N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline (PubChem CID 54266066) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
PubChem CID54266066
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
SMILESCc1ccc2sc(C=Cc3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C18H18N2S/c1-13-4-10-17-16(12-13)19-18(21-17)11-7-14-5-8-15(9-6-14)20(2)3/h4-12H,1-3H3
InChIKeyRGWDIIIOPXKFND-UHFFFAOYSA-N
XLogP4.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.84
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

5-methyl-2-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzothiazole
CID 170682224
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
CID 8831196
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline;ethane
CID 90760249
4-[(Z)-2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)ethenyl]-N,N-dimethylaniline
CID 92933845
N,N-dimethyl-4-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]aniline
CID 25212461
4-[2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 3943071
N,N-dimethyl-4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]aniline
CID 40700748
5-methyl-2-[(E)-2-(thiadiazol-4-yl)ethenyl]-1,3-benzothiazole
CID 47034121
4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
CID 3551243
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N,2-trimethylaniline
CID 53315247
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2-bromo-4-[(E)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]ethenyl]phenol
CID 150250328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline (CID 54266066) is N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline is Cc1ccc2sc(C=Cc3ccc(N(C)C)cc3)nc2c1.
What is the InChIKey of N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline?
The InChIKey is RGWDIIIOPXKFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-4-10-17-16(12-13)19-18(21-17)11-7-14-5-8-15(9-6-14)20(2)3/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline has a molecular weight of 294.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 54266066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).