8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H28N6O2S — CID 166623386

About 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166623386) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 166623386
• Molecular Formula: C18H28N6O2S
• Molecular Weight: 392.53 g/mol
• Exact Mass: 392.20
• IUPAC Name: 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)CN1C(=O)N(CC2CCC2)C(=O)C12CCN(c1nnc(N)s1)CC2
• InChI: InChI=1S/C18H28N6O2S/c1-12(2)10-24-17(26)23(11-13-4-3-5-13)14(25)18(24)6-8-22(9-7-18)16-21-20-15(19)27-16/h12-13H,3-11H2,1-2H3,(H2,19,20)
• InChIKey: UGVYJJHZQIBULN-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 95.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.53
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166623386) is 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CC2CCC2)C(=O)C12CCN(c1nnc(N)s1)CC2.

What is the InChIKey of 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is UGVYJJHZQIBULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-12(2)10-24-17(26)23(11-13-4-3-5-13)14(25)18(24)6-8-22(9-7-18)16-21-20-15(19)27-16/h12-13H,3-11H2,1-2H3,(H2,19,20).

What are the key properties of 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 392.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-amino-1,3,4-thiadiazol-2-yl)-3-(cyclobutylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166623386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).