N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C13H13N3O2S — CID 6884749

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2ccccn2)o1
InChIInChI=1S/C13H13N3O2S/c1-10-5-6-11(18-10)8-15-16-12(17)9-19-13-4-2-3-7-14-13/h2-8H,9H2,1H3,(H,16,17)/b15-8+
InChIKeyCHZFQXDIERYJIN-OVCLIPMQSA-N
MW275.33 g/mol
LogP2.23
Rot. Bonds5

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 6884749) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID6884749
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2ccccn2)o1
InChIInChI=1S/C13H13N3O2S/c1-10-5-6-11(18-10)8-15-16-12(17)9-19-13-4-2-3-7-14-13/h2-8H,9H2,1H3,(H,16,17)/b15-8+
InChIKeyCHZFQXDIERYJIN-OVCLIPMQSA-N
XLogP2.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.23
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)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 6884749) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is Cc1ccc(/C=N/NC(=O)CSc2ccccn2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CHZFQXDIERYJIN-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-10-5-6-11(18-10)8-15-16-12(17)9-19-13-4-2-3-7-14-13/h2-8H,9H2,1H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 6884749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).