5-aminopyridine-2-carbothioamide

C6H7N3S — CID 70701031

IUPAC5-aminopyridine-2-carbothioamide
SMILESNC(=S)c1ccc(N)cn1
InChIInChI=1S/C6H7N3S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,7H2,(H2,8,10)
InChIKeyDEIFFQUHWALUAJ-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.30
Rot. Bonds1

About 5-aminopyridine-2-carbothioamide

5-aminopyridine-2-carbothioamide (PubChem CID 70701031) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 5-aminopyridine-2-carbothioamide.

Molecular Properties

Compound Name5-aminopyridine-2-carbothioamide
PubChem CID70701031
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name5-aminopyridine-2-carbothioamide
SMILESNC(=S)c1ccc(N)cn1
InChIInChI=1S/C6H7N3S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,7H2,(H2,8,10)
InChIKeyDEIFFQUHWALUAJ-UHFFFAOYSA-N
XLogP0.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbothioamide?
The IUPAC name of 5-aminopyridine-2-carbothioamide (CID 70701031) is 5-aminopyridine-2-carbothioamide.
What is the SMILES notation for 5-aminopyridine-2-carbothioamide?
The canonical SMILES for 5-aminopyridine-2-carbothioamide is NC(=S)c1ccc(N)cn1.
What is the InChIKey of 5-aminopyridine-2-carbothioamide?
The InChIKey is DEIFFQUHWALUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,7H2,(H2,8,10).
What are the key properties of 5-aminopyridine-2-carbothioamide?
5-aminopyridine-2-carbothioamide has a molecular weight of 153.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbothioamide is sourced from PubChem (CID 70701031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).