3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole

C4H4N6S — CID 130870172

IUPAC3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole
SMILESc1nsnc1Cc1nn[nH]n1
InChIInChI=1S/C4H4N6S/c1(3-2-5-11-8-3)4-6-9-10-7-4/h2H,1H2,(H,6,7,9,10)
InChIKeyUSLVXSVAVTYTNF-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.36
Rot. Bonds2

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

3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole (PubChem CID 130870172) has the molecular formula C4H4N6S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole
PubChem CID130870172
Molecular FormulaC4H4N6S
Molecular Weight168.19 g/mol
Exact Mass168.02
IUPAC Name3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole
SMILESc1nsnc1Cc1nn[nH]n1
InChIInChI=1S/C4H4N6S/c1(3-2-5-11-8-3)4-6-9-10-7-4/h2H,1H2,(H,6,7,9,10)
InChIKeyUSLVXSVAVTYTNF-UHFFFAOYSA-N
XLogP-0.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole?
The IUPAC name of 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole (CID 130870172) is 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole is c1nsnc1Cc1nn[nH]n1.
What is the InChIKey of 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole?
The InChIKey is USLVXSVAVTYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6S/c1(3-2-5-11-8-3)4-6-9-10-7-4/h2H,1H2,(H,6,7,9,10).
What are the key properties of 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole?
3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole has a molecular weight of 168.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-ylmethyl)-1,2,5-thiadiazole is sourced from PubChem (CID 130870172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).