4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline

C15H18N2S — CID 167006849

IUPAC4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/C2=NCCS2)cc1
InChIInChI=1S/C15H18N2S/c1-17(2)14-9-7-13(8-10-14)5-3-4-6-15-16-11-12-18-15/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyUGNNLWTVTHBUPV-GGWOSOGESA-N
MW258.39 g/mol
LogP3.47
Rot. Bonds4

About 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline

4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline (PubChem CID 167006849) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline
PubChem CID167006849
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/C=C/C2=NCCS2)cc1
InChIInChI=1S/C15H18N2S/c1-17(2)14-9-7-13(8-10-14)5-3-4-6-15-16-11-12-18-15/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyUGNNLWTVTHBUPV-GGWOSOGESA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(1E,3E)-4-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]buta-1,3-dienyl]aniline
CID 90135204
[(2Z,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]azanium
CID 143521893
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 10821548
4-[(1Z,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 101097546
2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935
[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-dimethylazanium
CID 134924887
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517
4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
CID 3024540
N,N-dimethyl-4-[(1E,3E)-4-(1-methylpyridin-1-ium-4-yl)buta-1,3-dienyl]aniline iodide
CID 45488916

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline (CID 167006849) is 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/C=C/C2=NCCS2)cc1.
What is the InChIKey of 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline?
The InChIKey is UGNNLWTVTHBUPV-GGWOSOGESA-N. The full InChI is InChI=1S/C15H18N2S/c1-17(2)14-9-7-13(8-10-14)5-3-4-6-15-16-11-12-18-15/h3-10H,11-12H2,1-2H3/b5-3+,6-4+.
What are the key properties of 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline?
4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline has a molecular weight of 258.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-(4,5-dihydro-1,3-thiazol-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline is sourced from PubChem (CID 167006849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).