6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide

C13H20N4S — CID 24709307

IUPAC6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
SMILESCCCN1CCN(c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C13H20N4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(10-15-12)13(14)18/h3-4,10H,2,5-9H2,1H3,(H2,14,18)
InChIKeyOWYPMAZTJASHMA-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.25
Rot. Bonds4

About 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide

6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide (PubChem CID 24709307) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
PubChem CID24709307
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
SMILESCCCN1CCN(c2ccc(C(N)=S)cn2)CC1
InChIInChI=1S/C13H20N4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(10-15-12)13(14)18/h3-4,10H,2,5-9H2,1H3,(H2,14,18)
InChIKeyOWYPMAZTJASHMA-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.25
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

6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 28775051
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
3-chloro-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 63087443
6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carbothioamide
CID 54985856
6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 106669549
3-bromo-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 82804418
5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide
CID 114090039
6-(2-ethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 43562927
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide?
The IUPAC name of 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide (CID 24709307) is 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide is CCCN1CCN(c2ccc(C(N)=S)cn2)CC1.
What is the InChIKey of 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide?
The InChIKey is OWYPMAZTJASHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-5-16-6-8-17(9-7-16)12-4-3-11(10-15-12)13(14)18/h3-4,10H,2,5-9H2,1H3,(H2,14,18).
What are the key properties of 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide?
6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide is sourced from PubChem (CID 24709307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).