(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate

C18H24N6S2 — CID 5178097

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate
SMILESCC1CC(C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C18H24N6S2/c1-12-8-13(2)10-24(9-12)18(25)26-11-15-21-16(19)23-17(22-15)20-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyUGTKQAOGUXSKKV-UHFFFAOYSA-N
MW388.57 g/mol
LogP3.69
Rot. Bonds4

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate (PubChem CID 5178097) has the molecular formula C18H24N6S2 and a molecular weight of 388.57 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate
PubChem CID5178097
Molecular FormulaC18H24N6S2
Molecular Weight388.57 g/mol
Exact Mass388.15
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate
SMILESCC1CC(C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C18H24N6S2/c1-12-8-13(2)10-24(9-12)18(25)26-11-15-21-16(19)23-17(22-15)20-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyUGTKQAOGUXSKKV-UHFFFAOYSA-N
XLogP3.69
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate (CID 5178097) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate is CC1CC(C)CN(C(=S)SCc2nc(N)nc(Nc3ccccc3)n2)C1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate?
The InChIKey is UGTKQAOGUXSKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S2/c1-12-8-13(2)10-24(9-12)18(25)26-11-15-21-16(19)23-17(22-15)20-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate has a molecular weight of 388.57 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,5-dimethylpiperidine-1-carbodithioate is sourced from PubChem (CID 5178097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).