6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide

C11H17N3S — CID 64589022

IUPAC6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)C(C)C
InChIInChI=1S/C11H17N3S/c1-4-14(8(2)3)10-7-5-6-9(13-10)11(12)15/h5-8H,4H2,1-3H3,(H2,12,15)
InChIKeyYTNISIRNSLFNQV-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.95
Rot. Bonds4

About 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide

6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide (PubChem CID 64589022) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
PubChem CID64589022
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)C(C)C
InChIInChI=1S/C11H17N3S/c1-4-14(8(2)3)10-7-5-6-9(13-10)11(12)15/h5-8H,4H2,1-3H3,(H2,12,15)
InChIKeyYTNISIRNSLFNQV-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.95
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-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide (CID 64589022) is 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide is CCN(c1cccc(C(N)=S)n1)C(C)C.
What is the InChIKey of 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide?
The InChIKey is YTNISIRNSLFNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-4-14(8(2)3)10-7-5-6-9(13-10)11(12)15/h5-8H,4H2,1-3H3,(H2,12,15).
What are the key properties of 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide?
6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide has a molecular weight of 223.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propan-2-yl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).