N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine

C12H12N2OS — CID 173292936

IUPACN-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine
SMILESCON=C(Cc1nccs1)c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-15-14-11(9-12-13-7-8-16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFAZUNQZSIYZBFM-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.74
Rot. Bonds4

About N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine

N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine (PubChem CID 173292936) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine
PubChem CID173292936
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine
SMILESCON=C(Cc1nccs1)c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-15-14-11(9-12-13-7-8-16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFAZUNQZSIYZBFM-UHFFFAOYSA-N
XLogP2.74
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine?
The IUPAC name of N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine (CID 173292936) is N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine.
What is the SMILES notation for N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine?
The canonical SMILES for N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine is CON=C(Cc1nccs1)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine?
The InChIKey is FAZUNQZSIYZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-15-14-11(9-12-13-7-8-16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine?
N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine has a molecular weight of 232.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine is sourced from PubChem (CID 173292936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).