1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone

C16H25N3O2S — CID 97494995

About 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone

1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone (PubChem CID 97494995) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
• PubChem CID: 97494995
• Molecular Formula: C16H25N3O2S
• Molecular Weight: 323.46 g/mol
• Exact Mass: 323.17
• IUPAC Name: 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
• SMILES: CC(=O)N1CCOC[C@]2(CCCN(Cc3csc(C)n3)C2)C1
• InChI: InChI=1S/C16H25N3O2S/c1-13-17-15(9-22-13)8-18-5-3-4-16(10-18)11-19(14(2)20)6-7-21-12-16/h9H,3-8,10-12H2,1-2H3/t16-/m0/s1
• InChIKey: HKYHQMLUVSPXSG-INIZCTEOSA-N
• XLogP: 1.91
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.46
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?

The IUPAC name of 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone (CID 97494995) is 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone.

What is the SMILES notation for 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?

The canonical SMILES for 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone is CC(=O)N1CCOC[C@]2(CCCN(Cc3csc(C)n3)C2)C1.

What is the InChIKey of 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?

The InChIKey is HKYHQMLUVSPXSG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-17-15(9-22-13)8-18-5-3-4-16(10-18)11-19(14(2)20)6-7-21-12-16/h9H,3-8,10-12H2,1-2H3/t16-/m0/s1.

What are the key properties of 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone?

1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone has a molecular weight of 323.46 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone is sourced from PubChem (CID 97494995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).