1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one

C19H21FN2O3S — CID 110333036

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one
SMILESO=C(CCc1csc(-c2ccc(F)cc2)n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21FN2O3S/c20-15-3-1-14(2-4-15)18-21-16(13-26-18)5-6-17(23)22-9-7-19(8-10-22)24-11-12-25-19/h1-4,13H,5-12H2
InChIKeyLYWWAMBFSQKTND-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.25
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 110333036) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one
PubChem CID110333036
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one
SMILESO=C(CCc1csc(-c2ccc(F)cc2)n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H21FN2O3S/c20-15-3-1-14(2-4-15)18-21-16(13-26-18)5-6-17(23)22-9-7-19(8-10-22)24-11-12-25-19/h1-4,13H,5-12H2
InChIKeyLYWWAMBFSQKTND-UHFFFAOYSA-N
XLogP3.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
CID 110333123
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110333046
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330025
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648806
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164363
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanone
CID 16900637
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one (CID 110333036) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one is O=C(CCc1csc(-c2ccc(F)cc2)n1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is LYWWAMBFSQKTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-15-3-1-14(2-4-15)18-21-16(13-26-18)5-6-17(23)22-9-7-19(8-10-22)24-11-12-25-19/h1-4,13H,5-12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 376.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 110333036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).