4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline

C19H19N3OS — CID 682583

IUPAC4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2csc(N=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)16-8-4-14(5-9-16)12-20-19-21-18(13-24-19)15-6-10-17(23-3)11-7-15/h4-13H,1-3H3
InChIKeyABXMSZNFMLLCCT-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.64
Rot. Bonds5

About 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline (PubChem CID 682583) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
PubChem CID682583
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2csc(N=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)16-8-4-14(5-9-16)12-20-19-21-18(13-24-19)15-6-10-17(23-3)11-7-15/h4-13H,1-3H3
InChIKeyABXMSZNFMLLCCT-UHFFFAOYSA-N
XLogP4.64
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.64
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

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
1-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanimine
CID 682586
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
[4-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenyl] 2-chlorobenzoate
CID 46502111
4-[(4,5-dimethyl-1,3-thiazol-2-yl)iminomethyl]-N,N-dimethylaniline
CID 3299411

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline (CID 682583) is 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline is COc1ccc(-c2csc(N=Cc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is ABXMSZNFMLLCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(2)16-8-4-14(5-9-16)12-20-19-21-18(13-24-19)15-6-10-17(23-3)11-7-15/h4-13H,1-3H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline?
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 337.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 682583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).