N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide

C12H11N3OS — CID 696915

IUPACN-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cccnc1
InChIInChI=1S/C12H11N3OS/c16-12(7-11-4-2-6-17-11)15-14-9-10-3-1-5-13-8-10/h1-6,8-9H,7H2,(H,15,16)
InChIKeyVUKYGDRLJVROJN-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.84
Rot. Bonds4

About N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide

N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide (PubChem CID 696915) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
PubChem CID696915
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=Cc1cccnc1
InChIInChI=1S/C12H11N3OS/c16-12(7-11-4-2-6-17-11)15-14-9-10-3-1-5-13-8-10/h1-6,8-9H,7H2,(H,15,16)
InChIKeyVUKYGDRLJVROJN-UHFFFAOYSA-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(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 8982260
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide (CID 696915) is N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NN=Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide?
The InChIKey is VUKYGDRLJVROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-12(7-11-4-2-6-17-11)15-14-9-10-3-1-5-13-8-10/h1-6,8-9H,7H2,(H,15,16).
What are the key properties of N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide?
N-(pyridin-3-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-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 696915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).