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

C18H17FN2OS — CID 16955786

IUPAC2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCc1ccccc1/N=c1\scc(-c2ccc(F)cc2)n1CCO
InChIInChI=1S/C18H17FN2OS/c1-13-4-2-3-5-16(13)20-18-21(10-11-22)17(12-23-18)14-6-8-15(19)9-7-14/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyMOFPKMIPKNDOTL-ZZEZOPTASA-N
MW328.41 g/mol
LogP3.89
Rot. Bonds4

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

2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 16955786) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID16955786
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCc1ccccc1/N=c1\scc(-c2ccc(F)cc2)n1CCO
InChIInChI=1S/C18H17FN2OS/c1-13-4-2-3-5-16(13)20-18-21(10-11-22)17(12-23-18)14-6-8-15(19)9-7-14/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyMOFPKMIPKNDOTL-ZZEZOPTASA-N
XLogP3.89
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.89
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

2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
2-[4-(4-chlorophenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 45135380
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392955
N-(2-methylphenyl)-4-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392959
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
2-[2-(2,3-dimethylphenyl)imino-4-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]-1,3-thiazol-3-yl]ethanol
CID 45135540
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3603076
3-[3-[2-(4-chloro-2-methylphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]propan-1-ol
CID 20815335
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392682
2-[3-[2-(4-chloro-2-methylphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propyl-methylamino]ethanol
CID 20815266
2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol
CID 18581571
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 16955786) is 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is Cc1ccccc1/N=c1\scc(-c2ccc(F)cc2)n1CCO.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is MOFPKMIPKNDOTL-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-13-4-2-3-5-16(13)20-18-21(10-11-22)17(12-23-18)14-6-8-15(19)9-7-14/h2-9,12,22H,10-11H2,1H3/b20-18-.
What are the key properties of 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 328.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-(2-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 16955786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).