N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide

C12H11N3O2S — CID 6870596

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N/N=C/c1ccco1
InChIInChI=1S/C12H11N3O2S/c16-11(9-18-12-5-1-2-6-13-12)15-14-8-10-4-3-7-17-10/h1-8H,9H2,(H,15,16)/b14-8+
InChIKeyQETKBRPFGJRWPX-RIYZIHGNSA-N
MW261.31 g/mol
LogP1.92
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 6870596) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID6870596
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N/N=C/c1ccco1
InChIInChI=1S/C12H11N3O2S/c16-11(9-18-12-5-1-2-6-13-12)15-14-8-10-4-3-7-17-10/h1-8H,9H2,(H,15,16)/b14-8+
InChIKeyQETKBRPFGJRWPX-RIYZIHGNSA-N
XLogP1.92
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 6870596) is N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is QETKBRPFGJRWPX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-11(9-18-12-5-1-2-6-13-12)15-14-8-10-4-3-7-17-10/h1-8H,9H2,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 261.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 6870596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).