5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide

C13H20N4S — CID 113320854

IUPAC5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCN2CCCCC2)cn1
InChIInChI=1S/C13H20N4S/c14-13(18)12-5-4-11(10-16-12)15-6-9-17-7-2-1-3-8-17/h4-5,10,15H,1-3,6-9H2,(H2,14,18)
InChIKeyMSFAMDLTDHPMKM-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.61
Rot. Bonds5

About 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide

5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide (PubChem CID 113320854) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
PubChem CID113320854
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCN2CCCCC2)cn1
InChIInChI=1S/C13H20N4S/c14-13(18)12-5-4-11(10-16-12)15-6-9-17-7-2-1-3-8-17/h4-5,10,15H,1-3,6-9H2,(H2,14,18)
InChIKeyMSFAMDLTDHPMKM-UHFFFAOYSA-N
XLogP1.61
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.61
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

5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 113320995
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 103007115
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185821
5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide (CID 113320854) is 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide is NC(=S)c1ccc(NCCN2CCCCC2)cn1.
What is the InChIKey of 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide?
The InChIKey is MSFAMDLTDHPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c14-13(18)12-5-4-11(10-16-12)15-6-9-17-7-2-1-3-8-17/h4-5,10,15H,1-3,6-9H2,(H2,14,18).
What are the key properties of 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide?
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 113320854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).