5-(thiadiazol-4-yl)pentan-2-yldiazene

C7H12N4S — CID 90846933

IUPAC5-(thiadiazol-4-yl)pentan-2-yldiazene
SMILES[H]/N=N/C(C)CCCc1csnn1
InChIInChI=1S/C7H12N4S/c1-6(9-8)3-2-4-7-5-12-11-10-7/h5-6,8H,2-4H2,1H3/b9-8+
InChIKeyXPNUUXDSRVGRCV-CMDGGOBGSA-N
MW184.27 g/mol
LogP2.28
Rot. Bonds5

About 5-(thiadiazol-4-yl)pentan-2-yldiazene

5-(thiadiazol-4-yl)pentan-2-yldiazene (PubChem CID 90846933) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-(thiadiazol-4-yl)pentan-2-yldiazene.

Molecular Properties

Compound Name5-(thiadiazol-4-yl)pentan-2-yldiazene
PubChem CID90846933
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-(thiadiazol-4-yl)pentan-2-yldiazene
SMILES[H]/N=N/C(C)CCCc1csnn1
InChIInChI=1S/C7H12N4S/c1-6(9-8)3-2-4-7-5-12-11-10-7/h5-6,8H,2-4H2,1H3/b9-8+
InChIKeyXPNUUXDSRVGRCV-CMDGGOBGSA-N
XLogP2.28
TPSA61.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(thiadiazol-4-yl)pentan-2-yldiazene?
The IUPAC name of 5-(thiadiazol-4-yl)pentan-2-yldiazene (CID 90846933) is 5-(thiadiazol-4-yl)pentan-2-yldiazene.
What is the SMILES notation for 5-(thiadiazol-4-yl)pentan-2-yldiazene?
The canonical SMILES for 5-(thiadiazol-4-yl)pentan-2-yldiazene is [H]/N=N/C(C)CCCc1csnn1.
What is the InChIKey of 5-(thiadiazol-4-yl)pentan-2-yldiazene?
The InChIKey is XPNUUXDSRVGRCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H12N4S/c1-6(9-8)3-2-4-7-5-12-11-10-7/h5-6,8H,2-4H2,1H3/b9-8+.
What are the key properties of 5-(thiadiazol-4-yl)pentan-2-yldiazene?
5-(thiadiazol-4-yl)pentan-2-yldiazene has a molecular weight of 184.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiadiazol-4-yl)pentan-2-yldiazene is sourced from PubChem (CID 90846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).