8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

C15H20N4OS2 — CID 131645665

About 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131645665) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
• PubChem CID: 131645665
• Molecular Formula: C15H20N4OS2
• Molecular Weight: 336.49 g/mol
• Exact Mass: 336.11
• IUPAC Name: 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
• SMILES: c1csc(CN2CCOC3(CCCN(c4nncs4)C3)C2)c1
• InChI: InChI=1S/C15H20N4OS2/c1-3-13(21-8-1)9-18-6-7-20-15(10-18)4-2-5-19(11-15)14-17-16-12-22-14/h1,3,8,12H,2,4-7,9-11H2
• InChIKey: WHAPJLZZFYJGEC-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 41.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.49
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?

The IUPAC name of 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131645665) is 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

What is the SMILES notation for 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?

The canonical SMILES for 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is c1csc(CN2CCOC3(CCCN(c4nncs4)C3)C2)c1.

What is the InChIKey of 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?

The InChIKey is WHAPJLZZFYJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-3-13(21-8-1)9-18-6-7-20-15(10-18)4-2-5-19(11-15)14-17-16-12-22-14/h1,3,8,12H,2,4-7,9-11H2.

What are the key properties of 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?

8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 336.49 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131645665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).