[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

C19H26FN3O3S — CID 131680030

IUPAC[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1C(=O)c1cscn1
InChIInChI=1S/C19H26FN3O3S/c1-26-10-14-9-18(12-23(14)16(24)15-11-27-13-21-15)5-7-22(8-6-18)17(25)19(20)3-2-4-19/h11,13-14H,2-10,12H2,1H3
InChIKeyIGIRBRFHFUCCIX-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.51
Rot. Bonds4

About [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131680030) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131680030
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC Name[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1C(=O)c1cscn1
InChIInChI=1S/C19H26FN3O3S/c1-26-10-14-9-18(12-23(14)16(24)15-11-27-13-21-15)5-7-22(8-6-18)17(25)19(20)3-2-4-19/h11,13-14H,2-10,12H2,1H3
InChIKeyIGIRBRFHFUCCIX-UHFFFAOYSA-N
XLogP2.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-Methyl-1,3-thiazol-4-yl)carbonyl]-2-(tetrahydro-2-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72880597
[3-(Ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 118741104
1-[3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118742785
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 164640630
[(3S)-8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 129549020
[(3R)-8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 129549028
[9-(1-Fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131688902
(3-Fluorocyclobutyl)-[2-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131689425
[3-[(2S)-2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 132439791
[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 154757298
[3-(Cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830186
[3-(Methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860799

Frequently Asked Questions

What is the IUPAC name of [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 131680030) is [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is COCC1CC2(CCN(C(=O)C3(F)CCC3)CC2)CN1C(=O)c1cscn1.
What is the InChIKey of [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is IGIRBRFHFUCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-26-10-14-9-18(12-23(14)16(24)15-11-27-13-21-15)5-7-22(8-6-18)17(25)19(20)3-2-4-19/h11,13-14H,2-10,12H2,1H3.
What are the key properties of [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
[8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 395.50 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131680030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).