(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C16H22FN3O3S — CID 131685075

IUPAC(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(N1CCOC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1
InChIInChI=1S/C16H22FN3O3S/c17-16(2-1-3-16)13(21)19-6-8-23-15(10-19)11-20(5-7-22-12-15)14-18-4-9-24-14/h4,9H,1-3,5-8,10-12H2
InChIKeyBQDDBBYNIDNVJM-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.47
Rot. Bonds2

About (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 131685075) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID131685075
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(N1CCOC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1
InChIInChI=1S/C16H22FN3O3S/c17-16(2-1-3-16)13(21)19-6-8-23-15(10-19)11-20(5-7-22-12-15)14-18-4-9-24-14/h4,9H,1-3,5-8,10-12H2
InChIKeyBQDDBBYNIDNVJM-UHFFFAOYSA-N
XLogP1.47
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Fluorocyclopropyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683876
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684110
(3,3-Difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684215
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 131685187
1-[3-(1,3-Thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97399522
(3-Methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683838
2-(1-Methoxycyclobutyl)-1-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethanone
CID 131683934
(3-Hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684910
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 131684961
Cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134072925
2-Methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 134072947
Oxolan-3-yl-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 134072948

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 131685075) is (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(N1CCOC2(COCCN(c3nccs3)C2)C1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is BQDDBBYNIDNVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-16(2-1-3-16)13(21)19-6-8-23-15(10-19)11-20(5-7-22-12-15)14-18-4-9-24-14/h4,9H,1-3,5-8,10-12H2.
What are the key properties of (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
(1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 131685075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).