N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline

C22H24N2OS — CID 143246980

IUPACN,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-24(5-2)19-11-6-17(7-12-19)8-15-22-23-21(16-26-22)18-9-13-20(25-3)14-10-18/h6-16H,4-5H2,1-3H3/b15-8+
InChIKeyNIWXDSNXDFVCAC-OVCLIPMQSA-N
MW364.51 g/mol
LogP5.84
Rot. Bonds7

About N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline

N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline (PubChem CID 143246980) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
PubChem CID143246980
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C22H24N2OS/c1-4-24(5-2)19-11-6-17(7-12-19)8-15-22-23-21(16-26-22)18-9-13-20(25-3)14-10-18/h6-16H,4-5H2,1-3H3/b15-8+
InChIKeyNIWXDSNXDFVCAC-OVCLIPMQSA-N
XLogP5.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
CID 7812148
4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
4-(4-bromophenyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 40816768
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 162721182
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 7968999
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline (CID 143246980) is N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline is CCN(CC)c1ccc(/C=C/c2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline?
The InChIKey is NIWXDSNXDFVCAC-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-24(5-2)19-11-6-17(7-12-19)8-15-22-23-21(16-26-22)18-9-13-20(25-3)14-10-18/h6-16H,4-5H2,1-3H3/b15-8+.
What are the key properties of N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline?
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline has a molecular weight of 364.51 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline is sourced from PubChem (CID 143246980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).