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'}

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

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

Launch Full Analysis

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).