4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol

C18H16FN3OS — CID 135593063

IUPAC4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C18H16FN3OS/c1-2-20-18-22(21-11-13-3-9-16(23)10-4-13)17(12-24-18)14-5-7-15(19)8-6-14/h3-12,23H,2H2,1H3/b20-18-,21-11?
InChIKeyOQWOJHQNJZANKW-DUIPXHHWSA-N
MW341.41 g/mol
LogP3.86
Rot. Bonds4

About 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol

4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135593063) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135593063
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C18H16FN3OS/c1-2-20-18-22(21-11-13-3-9-16(23)10-4-13)17(12-24-18)14-5-7-15(19)8-6-14/h3-12,23H,2H2,1H3/b20-18-,21-11?
InChIKeyOQWOJHQNJZANKW-DUIPXHHWSA-N
XLogP3.86
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135593063) is 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol is CC/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is OQWOJHQNJZANKW-DUIPXHHWSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-2-20-18-22(21-11-13-3-9-16(23)10-4-13)17(12-24-18)14-5-7-15(19)8-6-14/h3-12,23H,2H2,1H3/b20-18-,21-11?.
What are the key properties of 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135593063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).