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

C15H19N5O2S — CID 124893570

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

(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893570) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124893570
• Molecular Formula: C15H19N5O2S
• Molecular Weight: 333.42 g/mol
• Exact Mass: 333.13
• IUPAC Name: (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1ccnc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
• InChI: InChI=1S/C15H19N5O2S/c1-10-3-5-16-13(17-10)22-12-4-6-21-15(7-12)8-20(9-15)14-19-18-11(2)23-14/h3,5,12H,4,6-9H2,1-2H3/t12-/m0/s1
• InChIKey: NGCCPQFIVDFBDY-LBPRGKRZSA-N
• XLogP: 1.76
• TPSA: 73.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.42
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124893570) is (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

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

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

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

The InChIKey is NGCCPQFIVDFBDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-3-5-16-13(17-10)22-12-4-6-21-15(7-12)8-20(9-15)14-19-18-11(2)23-14/h3,5,12H,4,6-9H2,1-2H3/t12-/m0/s1.

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

(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 333.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).