3-methyl-4-phenyl-1,2,5-thiadiazole

C9H8N2S — CID 12503516

IUPAC3-methyl-4-phenyl-1,2,5-thiadiazole
SMILESCc1nsnc1-c1ccccc1
InChIInChI=1S/C9H8N2S/c1-7-9(11-12-10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFLEZBTZTSHXYQH-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 3-methyl-4-phenyl-1,2,5-thiadiazole

3-methyl-4-phenyl-1,2,5-thiadiazole (PubChem CID 12503516) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,2,5-thiadiazole
PubChem CID12503516
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name3-methyl-4-phenyl-1,2,5-thiadiazole
SMILESCc1nsnc1-c1ccccc1
InChIInChI=1S/C9H8N2S/c1-7-9(11-12-10-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFLEZBTZTSHXYQH-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1,2,5-thiadiazole?
The IUPAC name of 3-methyl-4-phenyl-1,2,5-thiadiazole (CID 12503516) is 3-methyl-4-phenyl-1,2,5-thiadiazole.
What is the SMILES notation for 3-methyl-4-phenyl-1,2,5-thiadiazole?
The canonical SMILES for 3-methyl-4-phenyl-1,2,5-thiadiazole is Cc1nsnc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-1,2,5-thiadiazole?
The InChIKey is FLEZBTZTSHXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-9(11-12-10-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 3-methyl-4-phenyl-1,2,5-thiadiazole?
3-methyl-4-phenyl-1,2,5-thiadiazole has a molecular weight of 176.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,2,5-thiadiazole is sourced from PubChem (CID 12503516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).