(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

C17H23N5O2S — CID 124893291

About (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893291) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124893291
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
• InChI: InChI=1S/C17H23N5O2S/c1-12-3-6-18-15(19-12)23-7-4-14-5-8-24-17(9-14)10-22(11-17)16-21-20-13(2)25-16/h3,6,14H,4-5,7-11H2,1-2H3/t14-/m1/s1
• InChIKey: DTBHPYHSISHYDP-CQSZACIVSA-N
• XLogP: 2.40
• TPSA: 73.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124893291) is (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(OCC[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1.

What is the InChIKey of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is DTBHPYHSISHYDP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-3-6-18-15(19-12)23-7-4-14-5-8-24-17(9-14)10-22(11-17)16-21-20-13(2)25-16/h3,6,14H,4-5,7-11H2,1-2H3/t14-/m1/s1.

What are the key properties of (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?

(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 361.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).