2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide

C13H19N3S — CID 79362302

IUPAC2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide
SMILESCC1(C)C(Nc2ncccc2C(N)=S)C1(C)C
InChIInChI=1S/C13H19N3S/c1-12(2)11(13(12,3)4)16-10-8(9(14)17)6-5-7-15-10/h5-7,11H,1-4H3,(H2,14,17)(H,15,16)
InChIKeyFRFQYLHWMMOJEE-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.56
Rot. Bonds3

About 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide

2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide (PubChem CID 79362302) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide
PubChem CID79362302
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide
SMILESCC1(C)C(Nc2ncccc2C(N)=S)C1(C)C
InChIInChI=1S/C13H19N3S/c1-12(2)11(13(12,3)4)16-10-8(9(14)17)6-5-7-15-10/h5-7,11H,1-4H3,(H2,14,17)(H,15,16)
InChIKeyFRFQYLHWMMOJEE-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.56
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 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide (CID 79362302) is 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide is CC1(C)C(Nc2ncccc2C(N)=S)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide?
The InChIKey is FRFQYLHWMMOJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-12(2)11(13(12,3)4)16-10-8(9(14)17)6-5-7-15-10/h5-7,11H,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide?
2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide has a molecular weight of 249.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 79362302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).