6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide

C13H19N3S2 — CID 114121600

IUPAC6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide
SMILESCSC1CCCC1Nc1nc(C)ccc1C(N)=S
InChIInChI=1S/C13H19N3S2/c1-8-6-7-9(12(14)17)13(15-8)16-10-4-3-5-11(10)18-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyPKVFSWHIMDJUCA-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.72
Rot. Bonds4

About 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide

6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide (PubChem CID 114121600) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide
PubChem CID114121600
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide
SMILESCSC1CCCC1Nc1nc(C)ccc1C(N)=S
InChIInChI=1S/C13H19N3S2/c1-8-6-7-9(12(14)17)13(15-8)16-10-4-3-5-11(10)18-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyPKVFSWHIMDJUCA-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide (CID 114121600) is 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide is CSC1CCCC1Nc1nc(C)ccc1C(N)=S.
What is the InChIKey of 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide?
The InChIKey is PKVFSWHIMDJUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-8-6-7-9(12(14)17)13(15-8)16-10-4-3-5-11(10)18-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide?
6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide has a molecular weight of 281.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylsulfanylcyclopentyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 114121600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).