N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide

C11H15N5OS — CID 73212737

IUPACN-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N\NC(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C11H15N5OS/c12-10(9-3-1-2-4-13-9)14-15-11(18)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,12,14)(H,15,18)
InChIKeyVIVUNXDBCGYHTC-UHFFFAOYSA-N
MW265.34 g/mol
LogP-0.09
Rot. Bonds2

About N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide

N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide (PubChem CID 73212737) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide
PubChem CID73212737
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N\NC(=S)N1CCOCC1)c1ccccn1
InChIInChI=1S/C11H15N5OS/c12-10(9-3-1-2-4-13-9)14-15-11(18)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,12,14)(H,15,18)
InChIKeyVIVUNXDBCGYHTC-UHFFFAOYSA-N
XLogP-0.09
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The IUPAC name of N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide (CID 73212737) is N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide is N/C(=N\NC(=S)N1CCOCC1)c1ccccn1.
What is the InChIKey of N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
The InChIKey is VIVUNXDBCGYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-10(9-3-1-2-4-13-9)14-15-11(18)16-5-7-17-8-6-16/h1-4H,5-8H2,(H2,12,14)(H,15,18).
What are the key properties of N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide?
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide has a molecular weight of 265.34 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]morpholine-4-carbothioamide is sourced from PubChem (CID 73212737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).