1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine

C17H14N2OS — CID 173361477

IUPAC1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
SMILESc1ccc(C(=NOCc2cccs2)c2ccccn2)cc1
InChIInChI=1S/C17H14N2OS/c1-2-7-14(8-3-1)17(16-10-4-5-11-18-16)19-20-13-15-9-6-12-21-15/h1-12H,13H2
InChIKeyIUHOSYDSFZMQKS-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.11
Rot. Bonds5

About 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine

1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine (PubChem CID 173361477) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine.

Molecular Properties

Compound Name1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
PubChem CID173361477
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
SMILESc1ccc(C(=NOCc2cccs2)c2ccccn2)cc1
InChIInChI=1S/C17H14N2OS/c1-2-7-14(8-3-1)17(16-10-4-5-11-18-16)19-20-13-15-9-6-12-21-15/h1-12H,13H2
InChIKeyIUHOSYDSFZMQKS-UHFFFAOYSA-N
XLogP4.11
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.11
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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Related Compounds

(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
N-(thiophen-2-ylmethoxy)propan-2-imine
CID 142060545
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
CID 58684477
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
CID 6896284
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine?
The IUPAC name of 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine (CID 173361477) is 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine.
What is the SMILES notation for 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine?
The canonical SMILES for 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine is c1ccc(C(=NOCc2cccs2)c2ccccn2)cc1.
What is the InChIKey of 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine?
The InChIKey is IUHOSYDSFZMQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-2-7-14(8-3-1)17(16-10-4-5-11-18-16)19-20-13-15-9-6-12-21-15/h1-12H,13H2.
What are the key properties of 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine?
1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine has a molecular weight of 294.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine is sourced from PubChem (CID 173361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).