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

C17H24FN3O2S — CID 131684110

IUPAC(1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(N1CCCC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1
InChIInChI=1S/C17H24FN3O2S/c18-17(4-1-5-17)14(22)20-7-2-3-16(11-20)12-21(8-9-23-13-16)15-19-6-10-24-15/h6,10H,1-5,7-9,11-13H2
InChIKeyIYCZAYKBBKCSMF-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.48
Rot. Bonds2

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

(1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131684110) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID131684110
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name(1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(N1CCCC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1
InChIInChI=1S/C17H24FN3O2S/c18-17(4-1-5-17)14(22)20-7-2-3-16(11-20)12-21(8-9-23-13-16)15-19-6-10-24-15/h6,10H,1-5,7-9,11-13H2
InChIKeyIYCZAYKBBKCSMF-UHFFFAOYSA-N
XLogP2.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131684110) is (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(N1CCCC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is IYCZAYKBBKCSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c18-17(4-1-5-17)14(22)20-7-2-3-16(11-20)12-21(8-9-23-13-16)15-19-6-10-24-15/h6,10H,1-5,7-9,11-13H2.
What are the key properties of (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
(1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 353.46 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131684110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).