2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole

C5H5N5S — CID 167443432

IUPAC2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
SMILESCc1ncnn1-c1nncs1
InChIInChI=1S/C5H5N5S/c1-4-6-2-8-10(4)5-9-7-3-11-5/h2-3H,1H3
InChIKeyNXOWIDIGEPTPBY-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.43
Rot. Bonds1

About 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole

2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole (PubChem CID 167443432) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
PubChem CID167443432
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole
SMILESCc1ncnn1-c1nncs1
InChIInChI=1S/C5H5N5S/c1-4-6-2-8-10(4)5-9-7-3-11-5/h2-3H,1H3
InChIKeyNXOWIDIGEPTPBY-UHFFFAOYSA-N
XLogP0.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole (CID 167443432) is 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole is Cc1ncnn1-c1nncs1.
What is the InChIKey of 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
The InChIKey is NXOWIDIGEPTPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1-4-6-2-8-10(4)5-9-7-3-11-5/h2-3H,1H3.
What are the key properties of 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole?
2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole has a molecular weight of 167.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 167443432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).