2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol

C19H20N2OS — CID 4996936

IUPAC2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCCc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1
InChIInChI=1S/C19H20N2OS/c1-2-15-8-10-16(11-9-15)18-14-23-19(21(18)12-13-22)20-17-6-4-3-5-7-17/h3-11,14,22H,2,12-13H2,1H3/b20-19-
InChIKeyXFDGMOWBKKUBDL-VXPUYCOJSA-N
MW324.45 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol

2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 4996936) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID4996936
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCCc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1
InChIInChI=1S/C19H20N2OS/c1-2-15-8-10-16(11-9-15)18-14-23-19(21(18)12-13-22)20-17-6-4-3-5-7-17/h3-11,14,22H,2,12-13H2,1H3/b20-19-
InChIKeyXFDGMOWBKKUBDL-VXPUYCOJSA-N
XLogP4.00
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]acetate
CID 4993132
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601
2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 163332772
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
2-[4-(4-tert-butylphenyl)-2-(4-chlorophenyl)imino-1,3-thiazol-3-yl]ethanol
CID 138392602
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 4996936) is 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is CCc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is XFDGMOWBKKUBDL-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-15-8-10-16(11-9-15)18-14-23-19(21(18)12-13-22)20-17-6-4-3-5-7-17/h3-11,14,22H,2,12-13H2,1H3/b20-19-.
What are the key properties of 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 324.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 4996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).