2-methyl-1,3,4-thiadiazole;pyridine

C8H9N3S — CID 143854753

IUPAC2-methyl-1,3,4-thiadiazole;pyridine
SMILESCc1nncs1.c1ccncc1
InChIInChI=1S/C5H5N.C3H4N2S/c1-2-4-6-5-3-1;1-3-5-4-2-6-3/h1-5H;2H,1H3
InChIKeyYFUCFFFOPMILOF-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-1,3,4-thiadiazole;pyridine

2-methyl-1,3,4-thiadiazole;pyridine (PubChem CID 143854753) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-methyl-1,3,4-thiadiazole;pyridine.

Molecular Properties

Compound Name2-methyl-1,3,4-thiadiazole;pyridine
PubChem CID143854753
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-methyl-1,3,4-thiadiazole;pyridine
SMILESCc1nncs1.c1ccncc1
InChIInChI=1S/C5H5N.C3H4N2S/c1-2-4-6-5-3-1;1-3-5-4-2-6-3/h1-5H;2H,1H3
InChIKeyYFUCFFFOPMILOF-UHFFFAOYSA-N
XLogP1.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-1,3,4-thiadiazole;toluene
CID 91576744
pyridine
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1,5-diazecine
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pyridine
CID 160878650
2-methyl-1,3-thiazonine
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CID 135046667
CID 135046667
bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
ethane;methane;pyridine
CID 159650211
potassium;pyridine;iodide;hydrofluoride
CID 67523724
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
cadmium(2+);pyridine;chloride
CID 21144711

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4-thiadiazole;pyridine?
The IUPAC name of 2-methyl-1,3,4-thiadiazole;pyridine (CID 143854753) is 2-methyl-1,3,4-thiadiazole;pyridine.
What is the SMILES notation for 2-methyl-1,3,4-thiadiazole;pyridine?
The canonical SMILES for 2-methyl-1,3,4-thiadiazole;pyridine is Cc1nncs1.c1ccncc1.
What is the InChIKey of 2-methyl-1,3,4-thiadiazole;pyridine?
The InChIKey is YFUCFFFOPMILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H4N2S/c1-2-4-6-5-3-1;1-3-5-4-2-6-3/h1-5H;2H,1H3.
What are the key properties of 2-methyl-1,3,4-thiadiazole;pyridine?
2-methyl-1,3,4-thiadiazole;pyridine has a molecular weight of 179.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4-thiadiazole;pyridine is sourced from PubChem (CID 143854753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).