N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide

C15H26N6S2 — CID 6477573

IUPACN-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide
SMILESCC(/C=N\NC(=S)N1CCCCC1)=N\NC(=S)N1CCCCC1
InChIInChI=1S/C15H26N6S2/c1-13(17-19-15(23)21-10-6-3-7-11-21)12-16-18-14(22)20-8-4-2-5-9-20/h12H,2-11H2,1H3,(H,18,22)(H,19,23)/b16-12-,17-13+
InChIKeyUNSNRXLRFNYEKO-RFTYBOQRSA-N
MW354.55 g/mol
LogP2.07
Rot. Bonds3

About N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide

N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide (PubChem CID 6477573) has the molecular formula C15H26N6S2 and a molecular weight of 354.55 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide
PubChem CID6477573
Molecular FormulaC15H26N6S2
Molecular Weight354.55 g/mol
Exact Mass354.17
IUPAC NameN-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide
SMILESCC(/C=N\NC(=S)N1CCCCC1)=N\NC(=S)N1CCCCC1
InChIInChI=1S/C15H26N6S2/c1-13(17-19-15(23)21-10-6-3-7-11-21)12-16-18-14(22)20-8-4-2-5-9-20/h12H,2-11H2,1H3,(H,18,22)(H,19,23)/b16-12-,17-13+
InChIKeyUNSNRXLRFNYEKO-RFTYBOQRSA-N
XLogP2.07
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(2E)-2-phenyl-2-(piperidine-1-carbothioylhydrazinylidene)ethylidene]amino]piperidine-1-carbothioamide
CID 6399993
N-[(E)-1-pyrimidin-2-ylethylideneamino]pyrrolidine-1-carbothioamide
CID 5371251
copper N-[(6-methyl-2-pyridinyl)methylideneamino]piperidine-1-carbothioamide
CID 50910602
N-[(Z)-1-pyridin-2-ylethylideneamino]azocane-1-carbothioamide
CID 6810515
N-[(Z)-1-pyridazin-3-ylethylideneamino]azepane-1-carbothioamide
CID 6400886
gallium N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide
CID 50910578
bis(2-[(E)-(azepane-1-carbothioylhydrazinylidene)methyl]phenolate);palladium(2+)
CID 11679105
N-ethenylpyrrolidine-1-carbothioamide
CID 143146556
CID 50935686
CID 50935686
N-propylazepane-1-carbothioamide
CID 19654131
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931
1-(piperidine-1-carbothioylamino)-3-prop-2-enylthiourea
CID 4117717

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide?
The IUPAC name of N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide (CID 6477573) is N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide.
What is the SMILES notation for N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide?
The canonical SMILES for N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide is CC(/C=N\NC(=S)N1CCCCC1)=N\NC(=S)N1CCCCC1.
What is the InChIKey of N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide?
The InChIKey is UNSNRXLRFNYEKO-RFTYBOQRSA-N. The full InChI is InChI=1S/C15H26N6S2/c1-13(17-19-15(23)21-10-6-3-7-11-21)12-16-18-14(22)20-8-4-2-5-9-20/h12H,2-11H2,1H3,(H,18,22)(H,19,23)/b16-12-,17-13+.
What are the key properties of N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide?
N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide has a molecular weight of 354.55 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-(piperidine-1-carbothioylhydrazinylidene)propylidene]amino]piperidine-1-carbothioamide is sourced from PubChem (CID 6477573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).