(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

4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718
pyridin-3-ylmethyl 2-(4-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 166205252
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
CID 17467522
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599
(NZ)-N-[[2-(4-pyridin-3-ylbut-1-ynyl)-1,3-thiazol-4-yl]methylidene]hydroxylamine;hydrochloride
CID 175867150
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethylprop-2-en-1-amine
CID 79340774
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylprop-2-en-1-amine
CID 79347924
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633

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).