5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide

C15H17N5S — CID 115488135

IUPAC5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C15H17N5S/c16-15(21)13-5-4-12(11-18-13)19-7-9-20(10-8-19)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,21)
InChIKeyXAHSDPXZZSBFRW-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.44
Rot. Bonds3

About 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide

5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide (PubChem CID 115488135) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
PubChem CID115488135
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C15H17N5S/c16-15(21)13-5-4-12(11-18-13)19-7-9-20(10-8-19)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,21)
InChIKeyXAHSDPXZZSBFRW-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186951
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
5-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488609
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
CID 113029595
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
CID 171622110

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide (CID 115488135) is 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide is NC(=S)c1ccc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide?
The InChIKey is XAHSDPXZZSBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-15(21)13-5-4-12(11-18-13)19-7-9-20(10-8-19)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,21).
What are the key properties of 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide?
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide has a molecular weight of 299.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 115488135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).