(8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C18H24N4O2S — CID 124811791

About (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124811791) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124811791
• Molecular Formula: C18H24N4O2S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.16
• IUPAC Name: (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1ncsc1CN1CC2(C[C@H](CCOc3ncccn3)CCO2)C1
• InChI: InChI=1S/C18H24N4O2S/c1-14-16(25-13-21-14)10-22-11-18(12-22)9-15(4-8-24-18)3-7-23-17-19-5-2-6-20-17/h2,5-6,13,15H,3-4,7-12H2,1H3/t15-/m1/s1
• InChIKey: UQRKKYOLMKZLMA-OAHLLOKOSA-N
• XLogP: 2.69
• TPSA: 60.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124811791) is (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

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

The canonical SMILES for (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is Cc1ncsc1CN1CC2(C[C@H](CCOc3ncccn3)CCO2)C1.

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

The InChIKey is UQRKKYOLMKZLMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-16(25-13-21-14)10-22-11-18(12-22)9-15(4-8-24-18)3-7-23-17-19-5-2-6-20-17/h2,5-6,13,15H,3-4,7-12H2,1H3/t15-/m1/s1.

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

(8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 360.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).