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

C4H3N5S — CID 54270922

IUPAC2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole
SMILESc1n[nH]c(-c2nncs2)n1
InChIInChI=1S/C4H3N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1-2H,(H,5,6,8)
InChIKeyFLIJIRSAJDVWQD-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.32
Rot. Bonds1

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

2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole (PubChem CID 54270922) has the molecular formula C4H3N5S and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole
PubChem CID54270922
Molecular FormulaC4H3N5S
Molecular Weight153.17 g/mol
Exact Mass153.01
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole
SMILESc1n[nH]c(-c2nncs2)n1
InChIInChI=1S/C4H3N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1-2H,(H,5,6,8)
InChIKeyFLIJIRSAJDVWQD-UHFFFAOYSA-N
XLogP0.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5a(2)-Bi-1H-1,2,4-triazole
CID 22639477
Bis-triazolethiol
CID 88411241
2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
CID 91383250
5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole
CID 23227822
3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 53965972
3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine
CID 57223327
5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 62793217
5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 140974300
2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine
CID 140974305
2-methyl-1,3,4-thiadiazole;5-methyl-1H-1,2,4-triazole
CID 161810437
3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
CID 43556072
5-chloro-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 65267308

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole (CID 54270922) is 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole is c1n[nH]c(-c2nncs2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole?
The InChIKey is FLIJIRSAJDVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1-2H,(H,5,6,8).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole?
2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazole has a molecular weight of 153.17 g/mol, XLogP of 0.32, 1 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-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 54270922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).