(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

C17H21N5O2S — CID 155872120

About (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 155872120) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
• PubChem CID: 155872120
• Molecular Formula: C17H21N5O2S
• Molecular Weight: 359.46 g/mol
• Exact Mass: 359.14
• IUPAC Name: (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCOC3(CCCN(c4nncs4)C3)C2)cn1
• InChI: InChI=1S/C17H21N5O2S/c1-13-3-4-14(9-18-13)15(23)21-7-8-24-17(10-21)5-2-6-22(11-17)16-20-19-12-25-16/h3-4,9,12H,2,5-8,10-11H2,1H3
• InChIKey: JUQRCAGSOKHWLT-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 71.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.46
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (CID 155872120) is (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is Cc1ccc(C(=O)N2CCOC3(CCCN(c4nncs4)C3)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?

The InChIKey is JUQRCAGSOKHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-13-3-4-14(9-18-13)15(23)21-7-8-24-17(10-21)5-2-6-22(11-17)16-20-19-12-25-16/h3-4,9,12H,2,5-8,10-11H2,1H3.

What are the key properties of (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?

(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 359.46 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 155872120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).