5-(2-methylphenyl)thiatriazole

C8H7N3S — CID 15121692

IUPAC5-(2-methylphenyl)thiatriazole
SMILESCc1ccccc1-c1nnns1
InChIInChI=1S/C8H7N3S/c1-6-4-2-3-5-7(6)8-9-10-11-12-8/h2-5H,1H3
InChIKeySHWQLOZNCAUQLZ-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.91
Rot. Bonds1

About 5-(2-methylphenyl)thiatriazole

5-(2-methylphenyl)thiatriazole (PubChem CID 15121692) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 5-(2-methylphenyl)thiatriazole.

Molecular Properties

Compound Name5-(2-methylphenyl)thiatriazole
PubChem CID15121692
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name5-(2-methylphenyl)thiatriazole
SMILESCc1ccccc1-c1nnns1
InChIInChI=1S/C8H7N3S/c1-6-4-2-3-5-7(6)8-9-10-11-12-8/h2-5H,1H3
InChIKeySHWQLOZNCAUQLZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)thiatriazole?
The IUPAC name of 5-(2-methylphenyl)thiatriazole (CID 15121692) is 5-(2-methylphenyl)thiatriazole.
What is the SMILES notation for 5-(2-methylphenyl)thiatriazole?
The canonical SMILES for 5-(2-methylphenyl)thiatriazole is Cc1ccccc1-c1nnns1.
What is the InChIKey of 5-(2-methylphenyl)thiatriazole?
The InChIKey is SHWQLOZNCAUQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-6-4-2-3-5-7(6)8-9-10-11-12-8/h2-5H,1H3.
What are the key properties of 5-(2-methylphenyl)thiatriazole?
5-(2-methylphenyl)thiatriazole has a molecular weight of 177.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)thiatriazole is sourced from PubChem (CID 15121692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).