5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide

C12H17N3S — CID 115488600

IUPAC5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
SMILESCC1CCCC1Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H17N3S/c1-8-3-2-4-10(8)15-9-5-6-11(12(13)16)14-7-9/h5-8,10,15H,2-4H2,1H3,(H2,13,16)
InChIKeyLANBGNPDAJYXJL-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.32
Rot. Bonds3

About 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide

5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide (PubChem CID 115488600) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
PubChem CID115488600
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
SMILESCC1CCCC1Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C12H17N3S/c1-8-3-2-4-10(8)15-9-5-6-11(12(13)16)14-7-9/h5-8,10,15H,2-4H2,1H3,(H2,13,16)
InChIKeyLANBGNPDAJYXJL-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 115490910
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
CID 115488674
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
6-fluoro-N-(2-methylcyclohexyl)pyridin-3-amine
CID 104586717
2-N,2-N-dimethyl-5-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 43690472
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
2-amino-N-[5-[(2-methylcyclohexyl)amino]-2-pyridinyl]propanamide
CID 82034129
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide (CID 115488600) is 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide is CC1CCCC1Nc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide?
The InChIKey is LANBGNPDAJYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-3-2-4-10(8)15-9-5-6-11(12(13)16)14-7-9/h5-8,10,15H,2-4H2,1H3,(H2,13,16).
What are the key properties of 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide?
5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).