(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine

C16H12FN3OS — CID 166234287

IUPAC(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine
SMILESFc1ccc(-c2nc(/C=N/OCc3cccnc3)cs2)cc1
InChIInChI=1S/C16H12FN3OS/c17-14-5-3-13(4-6-14)16-20-15(11-22-16)9-19-21-10-12-2-1-7-18-8-12/h1-9,11H,10H2/b19-9+
InChIKeyINVGPQMSRIISRT-DJKKODMXSA-N
MW313.36 g/mol
LogP3.89
Rot. Bonds5

About (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine

(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine (PubChem CID 166234287) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine.

Molecular Properties

Compound Name(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine
PubChem CID166234287
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine
SMILESFc1ccc(-c2nc(/C=N/OCc3cccnc3)cs2)cc1
InChIInChI=1S/C16H12FN3OS/c17-14-5-3-13(4-6-14)16-20-15(11-22-16)9-19-21-10-12-2-1-7-18-8-12/h1-9,11H,10H2/b19-9+
InChIKeyINVGPQMSRIISRT-DJKKODMXSA-N
XLogP3.89
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 738483
CID 738483
CID 701015
CID 701015
CID 2800024
CID 2800024
CID 2725998
CID 2725998
CID 10354477
CID 10354477
CID 2347880
CID 2347880
CID 2446134
CID 2446134
CID 5306660
CID 5306660
CID 11500296
CID 11500296
CID 49799887
CID 49799887
CID 738487
CID 738487
CID 44307229
CID 44307229

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine?
The IUPAC name of (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine (CID 166234287) is (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine.
What is the SMILES notation for (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine?
The canonical SMILES for (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine is Fc1ccc(-c2nc(/C=N/OCc3cccnc3)cs2)cc1.
What is the InChIKey of (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine?
The InChIKey is INVGPQMSRIISRT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-14-5-3-13(4-6-14)16-20-15(11-22-16)9-19-21-10-12-2-1-7-18-8-12/h1-9,11H,10H2/b19-9+.
What are the key properties of (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine?
(E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine has a molecular weight of 313.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethoxy)methanimine is sourced from PubChem (CID 166234287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).