N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline

C23H28N4S — CID 2372317

IUPACN,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline
SMILESCCc1ccc(-c2cs/c(=N\C)n2N=Cc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H28N4S/c1-5-18-8-12-20(13-9-18)22-17-28-23(24-4)27(22)25-16-19-10-14-21(15-11-19)26(6-2)7-3/h8-17H,5-7H2,1-4H3/b24-23-,25-16?
InChIKeyHLWQCLMPEFWLOF-CTQCDUDSSA-N
MW392.57 g/mol
LogP5.04
Rot. Bonds7

About N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline

N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline (PubChem CID 2372317) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline
PubChem CID2372317
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC NameN,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline
SMILESCCc1ccc(-c2cs/c(=N\C)n2N=Cc2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H28N4S/c1-5-18-8-12-20(13-9-18)22-17-28-23(24-4)27(22)25-16-19-10-14-21(15-11-19)26(6-2)7-3/h8-17H,5-7H2,1-4H3/b24-23-,25-16?
InChIKeyHLWQCLMPEFWLOF-CTQCDUDSSA-N
XLogP5.04
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[4-(4-bromophenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N,N-diethylaniline
CID 6902876
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 4286455
(E)-N-methyl-4-(4-methylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904796
N-methyl-4-(4-nitrophenyl)-3-[(4-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23850330
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N,N-diethylaniline
CID 6905852
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
4-(4-bromophenyl)-3-[(4-ethylphenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 4016060
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
(E)-4-(3,4-dichlorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6902734
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2401260
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline (CID 2372317) is N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline is CCc1ccc(-c2cs/c(=N\C)n2N=Cc2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline?
The InChIKey is HLWQCLMPEFWLOF-CTQCDUDSSA-N. The full InChI is InChI=1S/C23H28N4S/c1-5-18-8-12-20(13-9-18)22-17-28-23(24-4)27(22)25-16-19-10-14-21(15-11-19)26(6-2)7-3/h8-17H,5-7H2,1-4H3/b24-23-,25-16?.
What are the key properties of N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline?
N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline has a molecular weight of 392.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(4-ethylphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]aniline is sourced from PubChem (CID 2372317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).