4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole

C6H4N8S — CID 141121963

IUPAC4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole
SMILESc1snnc1-c1ncc(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C6H4N8S/c1-3(6-10-12-13-11-6)8-5(7-1)4-2-15-14-9-4/h1-2H,(H,7,8)(H,10,11,12,13)
InChIKeyFEPCLBIXYDQWAJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.11
Rot. Bonds2

About 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole

4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole (PubChem CID 141121963) has the molecular formula C6H4N8S and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole
PubChem CID141121963
Molecular FormulaC6H4N8S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole
SMILESc1snnc1-c1ncc(-c2nn[nH]n2)[nH]1
InChIInChI=1S/C6H4N8S/c1-3(6-10-12-13-11-6)8-5(7-1)4-2-15-14-9-4/h1-2H,(H,7,8)(H,10,11,12,13)
InChIKeyFEPCLBIXYDQWAJ-UHFFFAOYSA-N
XLogP0.11
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole?
The IUPAC name of 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole (CID 141121963) is 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole.
What is the SMILES notation for 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole?
The canonical SMILES for 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole is c1snnc1-c1ncc(-c2nn[nH]n2)[nH]1.
What is the InChIKey of 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole?
The InChIKey is FEPCLBIXYDQWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N8S/c1-3(6-10-12-13-11-6)8-5(7-1)4-2-15-14-9-4/h1-2H,(H,7,8)(H,10,11,12,13).
What are the key properties of 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole?
4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole has a molecular weight of 220.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2H-tetrazol-5-yl)-1H-imidazol-2-yl]thiadiazole is sourced from PubChem (CID 141121963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).