(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

C18H26FN3O2S — CID 131685226

IUPAC(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCc1nc(CN2CCCC3(C2)CN(C(=O)C2(F)CCC2)CCO3)cs1
InChIInChI=1S/C18H26FN3O2S/c1-14-20-15(11-25-14)10-21-7-3-4-17(12-21)13-22(8-9-24-17)16(23)18(19)5-2-6-18/h11H,2-10,12-13H2,1H3
InChIKeyKAZKCEIPJBSCSL-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.54
Rot. Bonds3

About (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131685226) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131685226
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCc1nc(CN2CCCC3(C2)CN(C(=O)C2(F)CCC2)CCO3)cs1
InChIInChI=1S/C18H26FN3O2S/c1-14-20-15(11-25-14)10-21-7-3-4-17(12-21)13-22(8-9-24-17)16(23)18(19)5-2-6-18/h11H,2-10,12-13H2,1H3
InChIKeyKAZKCEIPJBSCSL-UHFFFAOYSA-N
XLogP2.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-cyclopropylethanone
CID 97511446
5,9-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743664
N-({2-[1-(2-Ethoxyacetyl)piperidin-3-YL]-13-thiazol-4-YL}methyl)cyclobutanecarboxamide
CID 71842039
[1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56582755
[(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1-fluorocyclobutyl)methanone
CID 131685001
[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclobutyl)methanone
CID 131685932
[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3,3-difluorocyclobutyl)methanone
CID 131686994
(1-Fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688967
(3,3-Difluorocyclobutyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131689307
9-(3,3-Difluorocyclobutanecarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131690906
9-(3-Fluoropropanoyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131690956
Cyclobutyl-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855258

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (CID 131685226) is (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is Cc1nc(CN2CCCC3(C2)CN(C(=O)C2(F)CCC2)CCO3)cs1.
What is the InChIKey of (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is KAZKCEIPJBSCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-14-20-15(11-25-14)10-21-7-3-4-17(12-21)13-22(8-9-24-17)16(23)18(19)5-2-6-18/h11H,2-10,12-13H2,1H3.
What are the key properties of (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
(1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131685226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).