N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide

C11H14FN5OS — CID 155564608

IUPACN-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N\NC(=S)N1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5OS/c12-8-1-2-9(14-7-8)10(13)15-16-11(19)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,13,15)(H,16,19)
InChIKeyPAWYWRAQZKNYSV-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.05
Rot. Bonds2

About N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide

N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide (PubChem CID 155564608) has the molecular formula C11H14FN5OS and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
PubChem CID155564608
Molecular FormulaC11H14FN5OS
Molecular Weight283.33 g/mol
Exact Mass283.09
IUPAC NameN-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
SMILESN/C(=N\NC(=S)N1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C11H14FN5OS/c12-8-1-2-9(14-7-8)10(13)15-16-11(19)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,13,15)(H,16,19)
InChIKeyPAWYWRAQZKNYSV-UHFFFAOYSA-N
XLogP0.05
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.05
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-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The IUPAC name of N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide (CID 155564608) is N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The canonical SMILES for N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide is N/C(=N\NC(=S)N1CCOCC1)c1ccc(F)cn1.
What is the InChIKey of N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
The InChIKey is PAWYWRAQZKNYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5OS/c12-8-1-2-9(14-7-8)10(13)15-16-11(19)17-3-5-18-6-4-17/h1-2,7H,3-6H2,(H2,13,15)(H,16,19).
What are the key properties of N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide?
N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide has a molecular weight of 283.33 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-(5-fluoro-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide is sourced from PubChem (CID 155564608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).