2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide

C13H19N3OS — CID 114767568

IUPAC2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCOC1CCCC1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C13H19N3OS/c1-8-6-9(13(14)18)7-12(15-8)16-10-4-3-5-11(10)17-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyGTPKMHKSQMARID-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.00
Rot. Bonds4

About 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide

2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767568) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767568
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCOC1CCCC1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C13H19N3OS/c1-8-6-9(13(14)18)7-12(15-8)16-10-4-3-5-11(10)17-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyGTPKMHKSQMARID-UHFFFAOYSA-N
XLogP2.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.00
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-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 62086991
2-[(2-methoxycyclopentyl)amino]quinoline-4-carbothioamide
CID 63886118
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
2-[(2-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 62087527
5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
2-(1-adamantylamino)-6-methylpyridine-4-carbothioamide
CID 114767043
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide (CID 114767568) is 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide is COC1CCCC1Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is GTPKMHKSQMARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-6-9(13(14)18)7-12(15-8)16-10-4-3-5-11(10)17-2/h6-7,10-11H,3-5H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide?
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).