N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide

C13H12N4OS — CID 5424100

IUPACN-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N/N=C\c1ccccn1
InChIInChI=1S/C13H12N4OS/c18-12(10-19-13-6-2-4-8-15-13)17-16-9-11-5-1-3-7-14-11/h1-9H,10H2,(H,17,18)/b16-9-
InChIKeyDFJAYNIDCKJHSA-SXGWCWSVSA-N
MW272.33 g/mol
LogP1.72
Rot. Bonds5

About N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5424100) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID5424100
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N/N=C\c1ccccn1
InChIInChI=1S/C13H12N4OS/c18-12(10-19-13-6-2-4-8-15-13)17-16-9-11-5-1-3-7-14-11/h1-9H,10H2,(H,17,18)/b16-9-
InChIKeyDFJAYNIDCKJHSA-SXGWCWSVSA-N
XLogP1.72
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.72
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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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethylideneamino)acetamide
CID 749028
2-pyridin-2-ylsulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5400534
N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6870596
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135558905
N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 790794
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 136914799
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6877463
N-[(E)-1H-indol-3-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135439639
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 5424100) is N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)N/N=C\c1ccccn1.
What is the InChIKey of N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is DFJAYNIDCKJHSA-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(10-19-13-6-2-4-8-15-13)17-16-9-11-5-1-3-7-14-11/h1-9H,10H2,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 272.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5424100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).