6-(diethylamino)pyridine-2-carbothioamide

C10H15N3S — CID 64587426

IUPAC6-(diethylamino)pyridine-2-carbothioamide
SMILESCCN(CC)c1cccc(C(N)=S)n1
InChIInChI=1S/C10H15N3S/c1-3-13(4-2)9-7-5-6-8(12-9)10(11)14/h5-7H,3-4H2,1-2H3,(H2,11,14)
InChIKeyRUXYNICDDOZGST-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.56
Rot. Bonds4

About 6-(diethylamino)pyridine-2-carbothioamide

6-(diethylamino)pyridine-2-carbothioamide (PubChem CID 64587426) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-(diethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(diethylamino)pyridine-2-carbothioamide
PubChem CID64587426
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-(diethylamino)pyridine-2-carbothioamide
SMILESCCN(CC)c1cccc(C(N)=S)n1
InChIInChI=1S/C10H15N3S/c1-3-13(4-2)9-7-5-6-8(12-9)10(11)14/h5-7H,3-4H2,1-2H3,(H2,11,14)
InChIKeyRUXYNICDDOZGST-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 6-(diethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(diethylamino)pyridine-2-carbothioamide (CID 64587426) is 6-(diethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(diethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(diethylamino)pyridine-2-carbothioamide is CCN(CC)c1cccc(C(N)=S)n1.
What is the InChIKey of 6-(diethylamino)pyridine-2-carbothioamide?
The InChIKey is RUXYNICDDOZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-13(4-2)9-7-5-6-8(12-9)10(11)14/h5-7H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of 6-(diethylamino)pyridine-2-carbothioamide?
6-(diethylamino)pyridine-2-carbothioamide has a molecular weight of 209.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64587426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).