2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide

C15H24N4S — CID 63342588

IUPAC2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide
SMILESCCCC(C(N)=S)N1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C15H24N4S/c1-3-5-13(15(16)20)18-8-10-19(11-9-18)14-7-4-6-12(2)17-14/h4,6-7,13H,3,5,8-11H2,1-2H3,(H2,16,20)
InChIKeyRENUSDIHCZTCHV-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide

2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide (PubChem CID 63342588) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide.

Molecular Properties

Compound Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide
PubChem CID63342588
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide
SMILESCCCC(C(N)=S)N1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C15H24N4S/c1-3-5-13(15(16)20)18-8-10-19(11-9-18)14-7-4-6-12(2)17-14/h4,6-7,13H,3,5,8-11H2,1-2H3,(H2,16,20)
InChIKeyRENUSDIHCZTCHV-UHFFFAOYSA-N
XLogP1.97
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide?
The IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide (CID 63342588) is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide.
What is the SMILES notation for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide?
The canonical SMILES for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide is CCCC(C(N)=S)N1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide?
The InChIKey is RENUSDIHCZTCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-3-5-13(15(16)20)18-8-10-19(11-9-18)14-7-4-6-12(2)17-14/h4,6-7,13H,3,5,8-11H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide?
2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide has a molecular weight of 292.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pentanethioamide is sourced from PubChem (CID 63342588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).