[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid

C7H6FN3O2S — CID 150708649

IUPAC[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid
SMILESO=C(O)NNC(=S)c1ccc(F)nc1
InChIInChI=1S/C7H6FN3O2S/c8-5-2-1-4(3-9-5)6(14)10-11-7(12)13/h1-3,11H,(H,10,14)(H,12,13)
InChIKeyJNKDCDXMLCXSGJ-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.67
Rot. Bonds1

About [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid

[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid (PubChem CID 150708649) has the molecular formula C7H6FN3O2S and a molecular weight of 215.21 g/mol. Its IUPAC name is [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid.

Molecular Properties

Compound Name[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid
PubChem CID150708649
Molecular FormulaC7H6FN3O2S
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Name[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid
SMILESO=C(O)NNC(=S)c1ccc(F)nc1
InChIInChI=1S/C7H6FN3O2S/c8-5-2-1-4(3-9-5)6(14)10-11-7(12)13/h1-3,11H,(H,10,14)(H,12,13)
InChIKeyJNKDCDXMLCXSGJ-UHFFFAOYSA-N
XLogP0.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid?
The IUPAC name of [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid (CID 150708649) is [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid.
What is the SMILES notation for [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid?
The canonical SMILES for [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid is O=C(O)NNC(=S)c1ccc(F)nc1.
What is the InChIKey of [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid?
The InChIKey is JNKDCDXMLCXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2S/c8-5-2-1-4(3-9-5)6(14)10-11-7(12)13/h1-3,11H,(H,10,14)(H,12,13).
What are the key properties of [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid?
[(6-fluoropyridine-3-carbothioyl)amino]carbamic acid has a molecular weight of 215.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-fluoropyridine-3-carbothioyl)amino]carbamic acid is sourced from PubChem (CID 150708649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).