3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide

C14H22N4S — CID 114288317

IUPAC3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCC(CN1CCCCC1)Nc1cnccc1C(N)=S
InChIInChI=1S/C14H22N4S/c1-11(10-18-7-3-2-4-8-18)17-13-9-16-6-5-12(13)14(15)19/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H2,15,19)
InChIKeyFWZYEMGQVJJEAI-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.00
Rot. Bonds5

About 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide

3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114288317) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114288317
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCC(CN1CCCCC1)Nc1cnccc1C(N)=S
InChIInChI=1S/C14H22N4S/c1-11(10-18-7-3-2-4-8-18)17-13-9-16-6-5-12(13)14(15)19/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H2,15,19)
InChIKeyFWZYEMGQVJJEAI-UHFFFAOYSA-N
XLogP2.00
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
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

3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
CID 80511242
5-chloro-2-(1-piperidin-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 62494206
3-(3-pyrrolidin-1-ylpropylamino)pyridine-4-carbothioamide
CID 114288517
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114288533
4-bromo-2-(1-morpholin-4-ylpropan-2-ylamino)benzenecarbothioamide
CID 114902945
3-[1-(oxan-4-yl)ethylamino]pyridine-4-carbothioamide
CID 114115172
4-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4,5-diamine
CID 82239020
3-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114288327
4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
CID 103000719

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide (CID 114288317) is 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide is CC(CN1CCCCC1)Nc1cnccc1C(N)=S.
What is the InChIKey of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is FWZYEMGQVJJEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-11(10-18-7-3-2-4-8-18)17-13-9-16-6-5-12(13)14(15)19/h5-6,9,11,17H,2-4,7-8,10H2,1H3,(H2,15,19).
What are the key properties of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide?
3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 278.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).