6-(dimethylamino)pyridine-2-carbothioamide

C8H11N3S — CID 64587455

IUPAC6-(dimethylamino)pyridine-2-carbothioamide
SMILESCN(C)c1cccc(C(N)=S)n1
InChIInChI=1S/C8H11N3S/c1-11(2)7-5-3-4-6(10-7)8(9)12/h3-5H,1-2H3,(H2,9,12)
InChIKeyKKCFRRMGVCAXNB-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.78
Rot. Bonds2

About 6-(dimethylamino)pyridine-2-carbothioamide

6-(dimethylamino)pyridine-2-carbothioamide (PubChem CID 64587455) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-(dimethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(dimethylamino)pyridine-2-carbothioamide
PubChem CID64587455
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-(dimethylamino)pyridine-2-carbothioamide
SMILESCN(C)c1cccc(C(N)=S)n1
InChIInChI=1S/C8H11N3S/c1-11(2)7-5-3-4-6(10-7)8(9)12/h3-5H,1-2H3,(H2,9,12)
InChIKeyKKCFRRMGVCAXNB-UHFFFAOYSA-N
XLogP0.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.78
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-(dimethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(dimethylamino)pyridine-2-carbothioamide (CID 64587455) is 6-(dimethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(dimethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(dimethylamino)pyridine-2-carbothioamide is CN(C)c1cccc(C(N)=S)n1.
What is the InChIKey of 6-(dimethylamino)pyridine-2-carbothioamide?
The InChIKey is KKCFRRMGVCAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-11(2)7-5-3-4-6(10-7)8(9)12/h3-5H,1-2H3,(H2,9,12).
What are the key properties of 6-(dimethylamino)pyridine-2-carbothioamide?
6-(dimethylamino)pyridine-2-carbothioamide has a molecular weight of 181.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64587455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).