5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine

C15H19F3N6S2 — CID 123883980

About 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine

5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 123883980) has the molecular formula C15H19F3N6S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 123883980
• Molecular Formula: C15H19F3N6S2
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.11
• IUPAC Name: 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(CCC(F)(F)F)=Nc1nnc(C2CCCC(c3nnc(N)s3)C2)s1
• InChI: InChI=1S/C15H19F3N6S2/c1-8(5-6-15(16,17)18)20-14-24-22-12(26-14)10-4-2-3-9(7-10)11-21-23-13(19)25-11/h9-10H,2-7H2,1H3,(H2,19,23)
• InChIKey: ONHXGHXOAOGIKS-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 89.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 123883980) is 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine is CC(CCC(F)(F)F)=Nc1nnc(C2CCCC(c3nnc(N)s3)C2)s1.

What is the InChIKey of 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is ONHXGHXOAOGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6S2/c1-8(5-6-15(16,17)18)20-14-24-22-12(26-14)10-4-2-3-9(7-10)11-21-23-13(19)25-11/h9-10H,2-7H2,1H3,(H2,19,23).

What are the key properties of 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine?

5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 404.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123883980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).