2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide

C15H24N4S — CID 83121322

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide
SMILESCc1ccnc(NCC2(N(C)C)CCCC2)c1C(N)=S
InChIInChI=1S/C15H24N4S/c1-11-6-9-17-14(12(11)13(16)20)18-10-15(19(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyXLBQLTMOCFJLIA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.31
Rot. Bonds5

About 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide (PubChem CID 83121322) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide
PubChem CID83121322
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide
SMILESCc1ccnc(NCC2(N(C)C)CCCC2)c1C(N)=S
InChIInChI=1S/C15H24N4S/c1-11-6-9-17-14(12(11)13(16)20)18-10-15(19(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyXLBQLTMOCFJLIA-UHFFFAOYSA-N
XLogP2.31
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyridine-3-carbothioamide
CID 104761865
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-methylpyridine-3-carbothioamide
CID 105418066
2-(2,2-difluoroethylamino)-4-methylpyridine-3-carbothioamide
CID 115407203
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048
4-methyl-2-(5,5,5-trifluoropentylamino)pyridine-3-carbothioamide
CID 115519906
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carbothioamide
CID 114700504
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
CID 78995555
2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
CID 83116516
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173
2-[2-(2-methoxyphenyl)ethylamino]-4-methylpyridine-3-carbothioamide
CID 106261389
4-chloro-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzenecarbothioamide
CID 105418100

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide (CID 83121322) is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide is Cc1ccnc(NCC2(N(C)C)CCCC2)c1C(N)=S.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide?
The InChIKey is XLBQLTMOCFJLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11-6-9-17-14(12(11)13(16)20)18-10-15(19(2)3)7-4-5-8-15/h6,9H,4-5,7-8,10H2,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide?
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide has a molecular weight of 292.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylpyridine-3-carbothioamide is sourced from PubChem (CID 83121322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).