2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole

C5H5N5S — CID 91383250

IUPAC2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
SMILESc1n[nH]c(Cc2nncs2)n1
InChIInChI=1S/C5H5N5S/c1(4-6-2-7-9-4)5-10-8-3-11-5/h2-3H,1H2,(H,6,7,9)
InChIKeyRFXGHJTVMBDWMU-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.25
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole

2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole (PubChem CID 91383250) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
PubChem CID91383250
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
SMILESc1n[nH]c(Cc2nncs2)n1
InChIInChI=1S/C5H5N5S/c1(4-6-2-7-9-4)5-10-8-3-11-5/h2-3H,1H2,(H,6,7,9)
InChIKeyRFXGHJTVMBDWMU-UHFFFAOYSA-N
XLogP0.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole (CID 91383250) is 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole is c1n[nH]c(Cc2nncs2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole?
The InChIKey is RFXGHJTVMBDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1(4-6-2-7-9-4)5-10-8-3-11-5/h2-3H,1H2,(H,6,7,9).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole?
2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole has a molecular weight of 167.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 91383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).