5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide

C16H25N3S — CID 115488733

IUPAC5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide
SMILESCC(C)CC1(CNc2ccc(C(N)=S)nc2)CCCC1
InChIInChI=1S/C16H25N3S/c1-12(2)9-16(7-3-4-8-16)11-19-13-5-6-14(15(17)20)18-10-13/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,20)
InChIKeyPNPOWZJUEZCHJO-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.73
Rot. Bonds6

About 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide

5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide (PubChem CID 115488733) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide
PubChem CID115488733
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide
SMILESCC(C)CC1(CNc2ccc(C(N)=S)nc2)CCCC1
InChIInChI=1S/C16H25N3S/c1-12(2)9-16(7-3-4-8-16)11-19-13-5-6-14(15(17)20)18-10-13/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,20)
InChIKeyPNPOWZJUEZCHJO-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.73
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-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
CID 114112956
5-[(4-propan-2-ylphenyl)methylamino]pyridine-2-carbothioamide
CID 115488478
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
CID 113320854
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
CID 115488674
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 81132129

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide?
The IUPAC name of 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide (CID 115488733) is 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide is CC(C)CC1(CNc2ccc(C(N)=S)nc2)CCCC1.
What is the InChIKey of 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide?
The InChIKey is PNPOWZJUEZCHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-12(2)9-16(7-3-4-8-16)11-19-13-5-6-14(15(17)20)18-10-13/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,20).
What are the key properties of 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide?
5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide has a molecular weight of 291.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methylpropyl)cyclopentyl]methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).