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

C17H25N3O3S — CID 131684910

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

(3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131684910) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• PubChem CID: 131684910
• Molecular Formula: C17H25N3O3S
• Molecular Weight: 351.47 g/mol
• Exact Mass: 351.16
• IUPAC Name: (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• SMILES: O=C(C1CC(O)C1)N1CCCC2(COCCN(c3nccs3)C2)C1
• InChI: InChI=1S/C17H25N3O3S/c21-14-8-13(9-14)15(22)19-4-1-2-17(10-19)11-20(5-6-23-12-17)16-18-3-7-24-16/h3,7,13-14,21H,1-2,4-6,8-12H2
• InChIKey: TXHNPUCRDNGEKB-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.47
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131684910) is (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

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

The canonical SMILES for (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(C1CC(O)C1)N1CCCC2(COCCN(c3nccs3)C2)C1.

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

The InChIKey is TXHNPUCRDNGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-14-8-13(9-14)15(22)19-4-1-2-17(10-19)11-20(5-6-23-12-17)16-18-3-7-24-16/h3,7,13-14,21H,1-2,4-6,8-12H2.

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

(3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131684910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).