5-(azidomethyl)-4-methylthiadiazole

C4H5N5S — CID 130600027

IUPAC5-(azidomethyl)-4-methylthiadiazole
SMILESCc1nnsc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5S/c1-3-4(2-6-8-5)10-9-7-3/h2H2,1H3
InChIKeyVOYYGOZMSRQXLF-UHFFFAOYSA-N
MW155.19 g/mol
LogP1.66
Rot. Bonds2

About 5-(azidomethyl)-4-methylthiadiazole

5-(azidomethyl)-4-methylthiadiazole (PubChem CID 130600027) has the molecular formula C4H5N5S and a molecular weight of 155.19 g/mol. Its IUPAC name is 5-(azidomethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(azidomethyl)-4-methylthiadiazole
PubChem CID130600027
Molecular FormulaC4H5N5S
Molecular Weight155.19 g/mol
Exact Mass155.03
IUPAC Name5-(azidomethyl)-4-methylthiadiazole
SMILESCc1nnsc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5S/c1-3-4(2-6-8-5)10-9-7-3/h2H2,1H3
InChIKeyVOYYGOZMSRQXLF-UHFFFAOYSA-N
XLogP1.66
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-4-methylthiadiazole?
The IUPAC name of 5-(azidomethyl)-4-methylthiadiazole (CID 130600027) is 5-(azidomethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(azidomethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(azidomethyl)-4-methylthiadiazole is Cc1nnsc1CN=[N+]=[N-].
What is the InChIKey of 5-(azidomethyl)-4-methylthiadiazole?
The InChIKey is VOYYGOZMSRQXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5S/c1-3-4(2-6-8-5)10-9-7-3/h2H2,1H3.
What are the key properties of 5-(azidomethyl)-4-methylthiadiazole?
5-(azidomethyl)-4-methylthiadiazole has a molecular weight of 155.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-4-methylthiadiazole is sourced from PubChem (CID 130600027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).