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

C19H20N2O2S — CID 4150994

IUPAC2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCO)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-17-10-8-16(9-11-17)20-19-21(12-13-22)18(14-24-19)15-6-4-3-5-7-15/h3-11,14,22H,2,12-13H2,1H3/b20-19-
InChIKeyKHUACXOIGLXDQD-VXPUYCOJSA-N
MW340.45 g/mol
LogP3.84
Rot. Bonds6

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

2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol (PubChem CID 4150994) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol
PubChem CID4150994
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol
SMILESCCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCO)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-17-10-8-16(9-11-17)20-19-21(12-13-22)18(14-24-19)15-6-4-3-5-7-15/h3-11,14,22H,2,12-13H2,1H3/b20-19-
InChIKeyKHUACXOIGLXDQD-VXPUYCOJSA-N
XLogP3.84
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.84
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

(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
1-(4-Benzyloxy-phenyl)-2-ethyl-isothiourea; hydriodide
CID 10755655
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
(Z)-4-((3-ethyl-4-phenylthiazol-2(3H)-ylidene)amino)phenol hydrobromide
CID 16194846
(Z)-2-((4-(4-methoxyphenyl)-3-phenylthiazol-2(3H)-ylidene)amino)ethanol hydrobromide
CID 18552734
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
5-(2-Hydroxyethylimino)-2-(4-methoxyphenyl)-3-phenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 56964905
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol (CID 4150994) is 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol is CCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCO)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol?
The InChIKey is KHUACXOIGLXDQD-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-23-17-10-8-16(9-11-17)20-19-21(12-13-22)18(14-24-19)15-6-4-3-5-7-15/h3-11,14,22H,2,12-13H2,1H3/b20-19-.
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol?
2-[2-(4-ethoxyphenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethanol has a molecular weight of 340.45 g/mol, XLogP of 3.84, 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-phenyl-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 4150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).