2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone

C18H27N3O3S — CID 155869810

About 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone

2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone (PubChem CID 155869810) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
• PubChem CID: 155869810
• Molecular Formula: C18H27N3O3S
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.18
• IUPAC Name: 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
• SMILES: O=C(CC1(O)CCC1)N1CCCC2(COCCN(c3nccs3)C2)C1
• InChI: InChI=1S/C18H27N3O3S/c22-15(11-18(23)4-1-5-18)20-7-2-3-17(12-20)13-21(8-9-24-14-17)16-19-6-10-25-16/h6,10,23H,1-5,7-9,11-14H2
• InChIKey: XOPAHSBPSVTPIS-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone (CID 155869810) is 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone.

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

The canonical SMILES for 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone is O=C(CC1(O)CCC1)N1CCCC2(COCCN(c3nccs3)C2)C1.

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

The InChIKey is XOPAHSBPSVTPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-15(11-18(23)4-1-5-18)20-7-2-3-17(12-20)13-21(8-9-24-14-17)16-19-6-10-25-16/h6,10,23H,1-5,7-9,11-14H2.

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

2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone has a molecular weight of 365.50 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hydroxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone is sourced from PubChem (CID 155869810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).