9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C18H24FN3O2S — CID 131685193

IUPAC9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)cs1
InChIInChI=1S/C18H24FN3O2S/c1-13-20-14(11-25-13)10-21-9-7-17(15(21)23)4-3-8-22(12-17)16(24)18(19)5-2-6-18/h11H,2-10,12H2,1H3
InChIKeyRYLGXAWXHAZWPY-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.68
Rot. Bonds3

About 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131685193) has the molecular formula C18H24FN3O2S and a molecular weight of 365.47 g/mol. Its IUPAC name is 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131685193
Molecular FormulaC18H24FN3O2S
Molecular Weight365.47 g/mol
Exact Mass365.16
IUPAC Name9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)cs1
InChIInChI=1S/C18H24FN3O2S/c1-13-20-14(11-25-13)10-21-9-7-17(15(21)23)4-3-8-22(12-17)16(24)18(19)5-2-6-18/h11H,2-10,12H2,1H3
InChIKeyRYLGXAWXHAZWPY-UHFFFAOYSA-N
XLogP2.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45171544
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493850
N-({2-[1-(3,3-dimethylbutanoyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-1-cyclobutanecarboxamide
CID 71842037
1-cyclopentyl-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 72933035
4-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56043484
cyclopropyl-[(5R)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399361
cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399362
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110718169
4-(Fluoromethyl)-1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899762
1-{1-[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899771
1-{1-[(2-Cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899813
(5R)-9-[(3,3-difluorocyclobutyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 129546585

Frequently Asked Questions

What is the IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131685193) is 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1nc(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)cs1.
What is the InChIKey of 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RYLGXAWXHAZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S/c1-13-20-14(11-25-13)10-21-9-7-17(15(21)23)4-3-8-22(12-17)16(24)18(19)5-2-6-18/h11H,2-10,12H2,1H3.
What are the key properties of 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 365.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131685193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).