6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione

C11H9N3S2 — CID 89466120

IUPAC6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
SMILESCc1sc2n[nH]c(=S)n2c1-c1ccccc1
InChIInChI=1S/C11H9N3S2/c1-7-9(8-5-3-2-4-6-8)14-10(15)12-13-11(14)16-7/h2-6H,1H3,(H,12,15)
InChIKeyWDIDORAOHOJYBV-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.43
Rot. Bonds1

About 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione

6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione (PubChem CID 89466120) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione.

Molecular Properties

Compound Name6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
PubChem CID89466120
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
SMILESCc1sc2n[nH]c(=S)n2c1-c1ccccc1
InChIInChI=1S/C11H9N3S2/c1-7-9(8-5-3-2-4-6-8)14-10(15)12-13-11(14)16-7/h2-6H,1H3,(H,12,15)
InChIKeyWDIDORAOHOJYBV-UHFFFAOYSA-N
XLogP3.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione?
The IUPAC name of 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione (CID 89466120) is 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione.
What is the SMILES notation for 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione?
The canonical SMILES for 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione is Cc1sc2n[nH]c(=S)n2c1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione?
The InChIKey is WDIDORAOHOJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-7-9(8-5-3-2-4-6-8)14-10(15)12-13-11(14)16-7/h2-6H,1H3,(H,12,15).
What are the key properties of 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione?
6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione has a molecular weight of 247.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione is sourced from PubChem (CID 89466120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).