4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline

C24H24N2OS — CID 143962391

IUPAC4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)SC(c1ccc(/C=C/c3ccc(N(C)C)cc3)cc1)N2
InChIInChI=1S/C24H24N2OS/c1-26(2)20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)24-25-22-15-14-21(27-3)16-23(22)28-24/h4-16,24-25H,1-3H3/b5-4+
InChIKeyQYLBBACYZLKJJS-SNAWJCMRSA-N
MW388.54 g/mol
LogP6.15
Rot. Bonds5

About 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 143962391) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID143962391
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)SC(c1ccc(/C=C/c3ccc(N(C)C)cc3)cc1)N2
InChIInChI=1S/C24H24N2OS/c1-26(2)20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)24-25-22-15-14-21(27-3)16-23(22)28-24/h4-16,24-25H,1-3H3/b5-4+
InChIKeyQYLBBACYZLKJJS-SNAWJCMRSA-N
XLogP6.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline with MolForge

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Related Compounds

2-[4-(dimethylamino)phenyl]-3-methyl-2H-1,3-benzothiazol-6-ol
CID 44629457
Ethanamine, 2-[4-(2,3-dihydro-2-benzothiazolyl)phenoxy]-N,N-diethyl-
CID 3006708
2-(4-Methoxyphenyl)-2,3-dihydrobenzo[d]thiazole
CID 3424364
6-Methoxy-2,3-dihydro-1,3-benzothiazole-2-carbonitrile
CID 129914242
N-benzyl-2-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfanyl]-N-methylethanamine
CID 15166419
2-Imino-3-{2-[(1-benzyl-4-piperidyl)thio]ethyl}-6-trifluoromethoxybenzothiazoline
CID 15166420
3-[2-(3-Phenylpropylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
CID 15166426
6-methoxy-2-(4-nitrophenyl)-3-(trifluoromethyl)-2H-1,3-benzothiazole
CID 67237380
2-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfanyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 67848973
2-[4-[2-(4,4-Difluoropiperidin-1-yl)ethyl]phenoxy]-2,3-dihydro-1,3-benzothiazole
CID 71072971
(Z)-2-[6-(2-fluoroethoxy)-2-methylidene-1,3-benzothiazol-3-yl]-1-(4-iodophenyl)ethenamine
CID 89038273
4-[6-(2-fluoroethoxy)-9-methylimidazo[2,1-b][1,3]benzothiazol-9-ium-2-yl]-N-methylaniline
CID 90878740

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline (CID 143962391) is 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline is COc1ccc2c(c1)SC(c1ccc(/C=C/c3ccc(N(C)C)cc3)cc1)N2.
What is the InChIKey of 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is QYLBBACYZLKJJS-SNAWJCMRSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-26(2)20-12-8-18(9-13-20)5-4-17-6-10-19(11-7-17)24-25-22-15-14-21(27-3)16-23(22)28-24/h4-16,24-25H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 388.54 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 143962391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).