4-(azidomethyl)-5-chlorothiadiazole

C3H2ClN5S — CID 61374573

IUPAC4-(azidomethyl)-5-chlorothiadiazole
SMILES[N-]=[N+]=NCc1nnsc1Cl
InChIInChI=1S/C3H2ClN5S/c4-3-2(1-6-8-5)7-9-10-3/h1H2
InChIKeyFISIKMHNRCIOCC-UHFFFAOYSA-N
MW175.60 g/mol
LogP2.00
Rot. Bonds2

About 4-(azidomethyl)-5-chlorothiadiazole

4-(azidomethyl)-5-chlorothiadiazole (PubChem CID 61374573) has the molecular formula C3H2ClN5S and a molecular weight of 175.60 g/mol. Its IUPAC name is 4-(azidomethyl)-5-chlorothiadiazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-chlorothiadiazole
PubChem CID61374573
Molecular FormulaC3H2ClN5S
Molecular Weight175.60 g/mol
Exact Mass174.97
IUPAC Name4-(azidomethyl)-5-chlorothiadiazole
SMILES[N-]=[N+]=NCc1nnsc1Cl
InChIInChI=1S/C3H2ClN5S/c4-3-2(1-6-8-5)7-9-10-3/h1H2
InChIKeyFISIKMHNRCIOCC-UHFFFAOYSA-N
XLogP2.00
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.60
LogP ≤ 52.00
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 4-(azidomethyl)-5-chlorothiadiazole?
The IUPAC name of 4-(azidomethyl)-5-chlorothiadiazole (CID 61374573) is 4-(azidomethyl)-5-chlorothiadiazole.
What is the SMILES notation for 4-(azidomethyl)-5-chlorothiadiazole?
The canonical SMILES for 4-(azidomethyl)-5-chlorothiadiazole is [N-]=[N+]=NCc1nnsc1Cl.
What is the InChIKey of 4-(azidomethyl)-5-chlorothiadiazole?
The InChIKey is FISIKMHNRCIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN5S/c4-3-2(1-6-8-5)7-9-10-3/h1H2.
What are the key properties of 4-(azidomethyl)-5-chlorothiadiazole?
4-(azidomethyl)-5-chlorothiadiazole has a molecular weight of 175.60 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-chlorothiadiazole is sourced from PubChem (CID 61374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).