6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide

C14H22N4S — CID 64589852

IUPAC6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide
SMILESCCN1CCC(N(C)c2cccc(C(N)=S)n2)CC1
InChIInChI=1S/C14H22N4S/c1-3-18-9-7-11(8-10-18)17(2)13-6-4-5-12(16-13)14(15)19/h4-6,11H,3,7-10H2,1-2H3,(H2,15,19)
InChIKeyCLYYBXPWBLLEJN-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.64
Rot. Bonds4

About 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide

6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide (PubChem CID 64589852) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide
PubChem CID64589852
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide
SMILESCCN1CCC(N(C)c2cccc(C(N)=S)n2)CC1
InChIInChI=1S/C14H22N4S/c1-3-18-9-7-11(8-10-18)17(2)13-6-4-5-12(16-13)14(15)19/h4-6,11H,3,7-10H2,1-2H3,(H2,15,19)
InChIKeyCLYYBXPWBLLEJN-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-yl)pyridine-2-carbothioamide
CID 750538
(6-Methylpyridin-2-yl)thiourea
CID 685983
N,N'-Bis(6-methyl-2-pyridinyl)thiourea
CID 3003754
4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54586763
N-phenyl-4-(pyridin-2-yl)piperazine-1-carbothioamide
CID 776628
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Iodopyridin-2-yl)-4-methylpiperazine
CID 10804369
1-(6-Methylpyridin-2-yl)-4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazine
CID 11604196
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-YL)-1,4-diazepane
CID 24208848
5-(4-Phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
CID 57470745

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide (CID 64589852) is 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide is CCN1CCC(N(C)c2cccc(C(N)=S)n2)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide?
The InChIKey is CLYYBXPWBLLEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-18-9-7-11(8-10-18)17(2)13-6-4-5-12(16-13)14(15)19/h4-6,11H,3,7-10H2,1-2H3,(H2,15,19).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide?
6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)-methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).