(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine

C20H14N4OS — CID 77107044

IUPAC(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine
SMILESC(=N/Oc1ccccc1)\c1cccc(-c2cnc(-c3cccnc3)s2)n1
InChIInChI=1S/C20H14N4OS/c1-2-8-17(9-3-1)25-23-13-16-7-4-10-18(24-16)19-14-22-20(26-19)15-6-5-11-21-12-15/h1-14H/b23-13+
InChIKeyWGGZPBFBPNOSHP-YDZHTSKRSA-N
MW358.43 g/mol
LogP4.68
Rot. Bonds5

About (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine

(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine (PubChem CID 77107044) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine.

Molecular Properties

Compound Name(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine
PubChem CID77107044
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine
SMILESC(=N/Oc1ccccc1)\c1cccc(-c2cnc(-c3cccnc3)s2)n1
InChIInChI=1S/C20H14N4OS/c1-2-8-17(9-3-1)25-23-13-16-7-4-10-18(24-16)19-14-22-20(26-19)15-6-5-11-21-12-15/h1-14H/b23-13+
InChIKeyWGGZPBFBPNOSHP-YDZHTSKRSA-N
XLogP4.68
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine?
The IUPAC name of (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine (CID 77107044) is (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine.
What is the SMILES notation for (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine?
The canonical SMILES for (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine is C(=N/Oc1ccccc1)\c1cccc(-c2cnc(-c3cccnc3)s2)n1.
What is the InChIKey of (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine?
The InChIKey is WGGZPBFBPNOSHP-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-2-8-17(9-3-1)25-23-13-16-7-4-10-18(24-16)19-14-22-20(26-19)15-6-5-11-21-12-15/h1-14H/b23-13+.
What are the key properties of (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine?
(E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine has a molecular weight of 358.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenoxy-1-[6-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyridinyl]methanimine is sourced from PubChem (CID 77107044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).