N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide

C12H11N3OS — CID 6862493

IUPACN-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccccn1
InChIInChI=1S/C12H11N3OS/c16-12(8-11-5-3-7-17-11)15-14-9-10-4-1-2-6-13-10/h1-7,9H,8H2,(H,15,16)/b14-9+
InChIKeyDOQVAEMFMGLFKS-NTEUORMPSA-N
MW245.31 g/mol
LogP1.84
Rot. Bonds4

About N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6862493) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6862493
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccccn1
InChIInChI=1S/C12H11N3OS/c16-12(8-11-5-3-7-17-11)15-14-9-10-4-1-2-6-13-10/h1-7,9H,8H2,(H,15,16)/b14-9+
InChIKeyDOQVAEMFMGLFKS-NTEUORMPSA-N
XLogP1.84
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135680361
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide (CID 6862493) is N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is DOQVAEMFMGLFKS-NTEUORMPSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-12(8-11-5-3-7-17-11)15-14-9-10-4-1-2-6-13-10/h1-7,9H,8H2,(H,15,16)/b14-9+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 245.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6862493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).