6-(ethylamino)pyridine-2-carbothioamide

C8H11N3S — CID 64587628

IUPAC6-(ethylamino)pyridine-2-carbothioamide
SMILESCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C8H11N3S/c1-2-10-7-5-3-4-6(11-7)8(9)12/h3-5H,2H2,1H3,(H2,9,12)(H,10,11)
InChIKeyXRPANSQKNSRTFB-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.15
Rot. Bonds3

About 6-(ethylamino)pyridine-2-carbothioamide

6-(ethylamino)pyridine-2-carbothioamide (PubChem CID 64587628) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-(ethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(ethylamino)pyridine-2-carbothioamide
PubChem CID64587628
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-(ethylamino)pyridine-2-carbothioamide
SMILESCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C8H11N3S/c1-2-10-7-5-3-4-6(11-7)8(9)12/h3-5H,2H2,1H3,(H2,9,12)(H,10,11)
InChIKeyXRPANSQKNSRTFB-UHFFFAOYSA-N
XLogP1.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.15
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 6-(ethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(ethylamino)pyridine-2-carbothioamide (CID 64587628) is 6-(ethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(ethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(ethylamino)pyridine-2-carbothioamide is CCNc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(ethylamino)pyridine-2-carbothioamide?
The InChIKey is XRPANSQKNSRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-10-7-5-3-4-6(11-7)8(9)12/h3-5H,2H2,1H3,(H2,9,12)(H,10,11).
What are the key properties of 6-(ethylamino)pyridine-2-carbothioamide?
6-(ethylamino)pyridine-2-carbothioamide has a molecular weight of 181.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64587628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).