5-(4-methylphenyl)-1,2,4-thiadiazole

C9H8N2S — CID 2739677

IUPAC5-(4-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2ncns2)cc1
InChIInChI=1S/C9H8N2S/c1-7-2-4-8(5-3-7)9-10-6-11-12-9/h2-6H,1H3
InChIKeyAMMKYYUZGBXXKP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 5-(4-methylphenyl)-1,2,4-thiadiazole

5-(4-methylphenyl)-1,2,4-thiadiazole (PubChem CID 2739677) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,2,4-thiadiazole
PubChem CID2739677
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name5-(4-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2ncns2)cc1
InChIInChI=1S/C9H8N2S/c1-7-2-4-8(5-3-7)9-10-6-11-12-9/h2-6H,1H3
InChIKeyAMMKYYUZGBXXKP-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 5-(4-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-methylphenyl)-1,2,4-thiadiazole (CID 2739677) is 5-(4-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-methylphenyl)-1,2,4-thiadiazole is Cc1ccc(-c2ncns2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is AMMKYYUZGBXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-2-4-8(5-3-7)9-10-6-11-12-9/h2-6H,1H3.
What are the key properties of 5-(4-methylphenyl)-1,2,4-thiadiazole?
5-(4-methylphenyl)-1,2,4-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 5-(4-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 2739677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).