N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide

C13H13N3OS — CID 5393099

IUPACN-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccs1)c1ccncc1
InChIInChI=1S/C13H13N3OS/c1-10(11-4-6-14-7-5-11)15-16-13(17)9-12-3-2-8-18-12/h2-8H,9H2,1H3,(H,16,17)/b15-10-
InChIKeyOPUQLEJXALPGMJ-GDNBJRDFSA-N
MW259.33 g/mol
LogP2.23
Rot. Bonds4

About N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5393099) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5393099
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccs1)c1ccncc1
InChIInChI=1S/C13H13N3OS/c1-10(11-4-6-14-7-5-11)15-16-13(17)9-12-3-2-8-18-12/h2-8H,9H2,1H3,(H,16,17)/b15-10-
InChIKeyOPUQLEJXALPGMJ-GDNBJRDFSA-N
XLogP2.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.23
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-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425293
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
CID 54047416
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 135680368

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide (CID 5393099) is N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide is C/C(=N/NC(=O)Cc1cccs1)c1ccncc1.
What is the InChIKey of N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is OPUQLEJXALPGMJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-10(11-4-6-14-7-5-11)15-16-13(17)9-12-3-2-8-18-12/h2-8H,9H2,1H3,(H,16,17)/b15-10-.
What are the key properties of N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 259.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5393099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).