4-propan-2-ylthiadiazole-5-carbonyl azide

C6H7N5OS — CID 65204135

IUPAC4-propan-2-ylthiadiazole-5-carbonyl azide
SMILESCC(C)c1nnsc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H7N5OS/c1-3(2)4-5(13-11-8-4)6(12)9-10-7/h3H,1-2H3
InChIKeyXHSISEFQJNPTLK-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.11
Rot. Bonds2

About 4-propan-2-ylthiadiazole-5-carbonyl azide

4-propan-2-ylthiadiazole-5-carbonyl azide (PubChem CID 65204135) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is 4-propan-2-ylthiadiazole-5-carbonyl azide.

Molecular Properties

Compound Name4-propan-2-ylthiadiazole-5-carbonyl azide
PubChem CID65204135
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name4-propan-2-ylthiadiazole-5-carbonyl azide
SMILESCC(C)c1nnsc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H7N5OS/c1-3(2)4-5(13-11-8-4)6(12)9-10-7/h3H,1-2H3
InChIKeyXHSISEFQJNPTLK-UHFFFAOYSA-N
XLogP2.11
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.11
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-propan-2-ylthiadiazole-5-carbonyl azide?
The IUPAC name of 4-propan-2-ylthiadiazole-5-carbonyl azide (CID 65204135) is 4-propan-2-ylthiadiazole-5-carbonyl azide.
What is the SMILES notation for 4-propan-2-ylthiadiazole-5-carbonyl azide?
The canonical SMILES for 4-propan-2-ylthiadiazole-5-carbonyl azide is CC(C)c1nnsc1C(=O)N=[N+]=[N-].
What is the InChIKey of 4-propan-2-ylthiadiazole-5-carbonyl azide?
The InChIKey is XHSISEFQJNPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c1-3(2)4-5(13-11-8-4)6(12)9-10-7/h3H,1-2H3.
What are the key properties of 4-propan-2-ylthiadiazole-5-carbonyl azide?
4-propan-2-ylthiadiazole-5-carbonyl azide has a molecular weight of 197.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthiadiazole-5-carbonyl azide is sourced from PubChem (CID 65204135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).