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

C17H23F2N3O2S — CID 131684215

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

(3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131684215) has the molecular formula C17H23F2N3O2S and a molecular weight of 371.45 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

• Compound Name: (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• PubChem CID: 131684215
• Molecular Formula: C17H23F2N3O2S
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.15
• IUPAC Name: (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• SMILES: O=C(C1CC(F)(F)C1)N1CCCC2(COCCN(c3nccs3)C2)C1
• InChI: InChI=1S/C17H23F2N3O2S/c18-17(19)8-13(9-17)14(23)21-4-1-2-16(10-21)11-22(5-6-24-12-16)15-20-3-7-25-15/h3,7,13H,1-2,4-6,8-12H2
• InChIKey: FJSFGSPATQRWNE-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131684215) is (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

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

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

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

The InChIKey is FJSFGSPATQRWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2S/c18-17(19)8-13(9-17)14(23)21-4-1-2-16(10-21)11-22(5-6-24-12-16)15-20-3-7-25-15/h3,7,13H,1-2,4-6,8-12H2.

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

(3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 371.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131684215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).