N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

C19H20N2OS — CID 699915

IUPACN-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C)cc1
InChIInChI=1S/C19H20N2OS/c1-4-22-17-11-9-16(10-12-17)20-19-21(3)18(13-23-19)15-7-5-14(2)6-8-15/h5-13H,4H2,1-3H3/b20-19-
InChIKeyGFXQXSSYRQPIBG-VXPUYCOJSA-N
MW324.45 g/mol
LogP4.69
Rot. Bonds4

About N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine

N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (PubChem CID 699915) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
PubChem CID699915
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C)cc1
InChIInChI=1S/C19H20N2OS/c1-4-22-17-11-9-16(10-12-17)20-19-21(3)18(13-23-19)15-7-5-14(2)6-8-15/h5-13H,4H2,1-3H3/b20-19-
InChIKeyGFXQXSSYRQPIBG-VXPUYCOJSA-N
XLogP4.69
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16188817
1-(4-Benzyloxy-phenyl)-2-ethyl-isothiourea; hydriodide
CID 10755655
Diethyl-[2-[3-(4-methoxyphenyl)-4-sulfanylidenequinazolin-2-yl]sulfanylethyl]-methylazanium
CID 23828108
ethyl N'-(4-phenylmethoxyphenyl)carbamimidothioate;hydroiodide
CID 45264407
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
CID 60036
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
2-[(2Z)-4-(4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 701126
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1528671
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921
CID 9549117
CID 9549117
2-(4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazol-3(2H)-yl)ethanol
CID 9549118

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine (CID 699915) is N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
The InChIKey is GFXQXSSYRQPIBG-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-4-22-17-11-9-16(10-12-17)20-19-21(3)18(13-23-19)15-7-5-14(2)6-8-15/h5-13H,4H2,1-3H3/b20-19-.
What are the key properties of N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine has a molecular weight of 324.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 699915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).