2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol

C20H22N2O2S — CID 138392628

IUPAC2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCO)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-13-23)19(14-25-20)16-6-4-15(2)5-7-16/h4-11,14,23H,3,12-13H2,1-2H3/b21-20-
InChIKeyNYKRQQXZXXEMJT-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.15
Rot. Bonds6

About 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol

2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 138392628) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID138392628
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCO)cc1
InChIInChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-13-23)19(14-25-20)16-6-4-15(2)5-7-16/h4-11,14,23H,3,12-13H2,1-2H3/b21-20-
InChIKeyNYKRQQXZXXEMJT-MRCUWXFGSA-N
XLogP4.15
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
3-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]propan-1-ol
CID 2716833
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
2-[4-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 16955782
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
ethyl 2-[2-(4-ethoxyphenyl)imino-3-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
CID 45145426
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (CID 138392628) is 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is CCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCO)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is NYKRQQXZXXEMJT-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-24-18-10-8-17(9-11-18)21-20-22(12-13-23)19(14-25-20)16-6-4-15(2)5-7-16/h4-11,14,23H,3,12-13H2,1-2H3/b21-20-.
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 354.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 138392628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).