(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

C12H16N6S2 — CID 80925437

IUPAC(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H16N6S2/c13-17-10-14-11(18-6-2-1-3-7-18)16-12(15-10)20-9-5-4-8-19-9/h4-5,8H,1-3,6-7,13H2,(H,14,15,16,17)
InChIKeyFFZBADPKMHSTQM-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.36
Rot. Bonds4

About (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80925437) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80925437
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC Name(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H16N6S2/c13-17-10-14-11(18-6-2-1-3-7-18)16-12(15-10)20-9-5-4-8-19-9/h4-5,8H,1-3,6-7,13H2,(H,14,15,16,17)
InChIKeyFFZBADPKMHSTQM-UHFFFAOYSA-N
XLogP2.36
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80872113
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80898197
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80925437) is (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(Sc2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is FFZBADPKMHSTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c13-17-10-14-11(18-6-2-1-3-7-18)16-12(15-10)20-9-5-4-8-19-9/h4-5,8H,1-3,6-7,13H2,(H,14,15,16,17).
What are the key properties of (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 308.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80925437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).