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

C9H10N2S — CID 23271437

IUPAC5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCC1=NNC(c2ccccc2)S1
InChIInChI=1S/C9H10N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyQJTKRMSDYBJVFR-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.36
Rot. Bonds1

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

5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 23271437) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID23271437
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCC1=NNC(c2ccccc2)S1
InChIInChI=1S/C9H10N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChIKeyQJTKRMSDYBJVFR-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 23271437) is 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is CC1=NNC(c2ccccc2)S1.
What is the InChIKey of 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is QJTKRMSDYBJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-10-11-9(12-7)8-5-3-2-4-6-8/h2-6,9,11H,1H3.
What are the key properties of 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole?
5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 178.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 23271437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).