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

C18H17FN2OS — CID 753156

IUPAC2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2CCO)c1
InChIInChI=1S/C18H17FN2OS/c1-13-3-2-4-16(11-13)20-18-21(9-10-22)17(12-23-18)14-5-7-15(19)8-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyUFHQRVHJRJKDPZ-ZZEZOPTASA-N
MW328.41 g/mol
LogP3.89
Rot. Bonds4

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

2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 753156) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID753156
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2CCO)c1
InChIInChI=1S/C18H17FN2OS/c1-13-3-2-4-16(11-13)20-18-21(9-10-22)17(12-23-18)14-5-7-15(19)8-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyUFHQRVHJRJKDPZ-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 753156) is 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2CCO)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is UFHQRVHJRJKDPZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-13-3-2-4-16(11-13)20-18-21(9-10-22)17(12-23-18)14-5-7-15(19)8-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-.
What are the key properties of 2-[4-(4-fluorophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-fluorophenyl)-2-(3-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-(3-methylphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 753156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).