6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide

C11H15N3S — CID 64588260

IUPAC6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
SMILESCC1(C)CC1Nc1cccc(C(N)=S)n1
InChIInChI=1S/C11H15N3S/c1-11(2)6-8(11)14-9-5-3-4-7(13-9)10(12)15/h3-5,8H,6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWYFMWSCTGHCWRU-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.93
Rot. Bonds3

About 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide

6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide (PubChem CID 64588260) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
PubChem CID64588260
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide
SMILESCC1(C)CC1Nc1cccc(C(N)=S)n1
InChIInChI=1S/C11H15N3S/c1-11(2)6-8(11)14-9-5-3-4-7(13-9)10(12)15/h3-5,8H,6H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyWYFMWSCTGHCWRU-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.93
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-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide (CID 64588260) is 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide is CC1(C)CC1Nc1cccc(C(N)=S)n1.
What is the InChIKey of 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide?
The InChIKey is WYFMWSCTGHCWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(2)6-8(11)14-9-5-3-4-7(13-9)10(12)15/h3-5,8H,6H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide?
6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclopropyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64588260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).