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

C20H24N2O4S — CID 110333123

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCOc1ccccc1-c1nc(CCC(=O)N2CCC3(CC2)OCCO3)cs1
InChIInChI=1S/C20H24N2O4S/c1-24-17-5-3-2-4-16(17)19-21-15(14-27-19)6-7-18(23)22-10-8-20(9-11-22)25-12-13-26-20/h2-5,14H,6-13H2,1H3
InChIKeyDUVVSXIZLVRNQM-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.12
Rot. Bonds5

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 110333123) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
PubChem CID110333123
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCOc1ccccc1-c1nc(CCC(=O)N2CCC3(CC2)OCCO3)cs1
InChIInChI=1S/C20H24N2O4S/c1-24-17-5-3-2-4-16(17)19-21-15(14-27-19)6-7-18(23)22-10-8-20(9-11-22)25-12-13-26-20/h2-5,14H,6-13H2,1H3
InChIKeyDUVVSXIZLVRNQM-UHFFFAOYSA-N
XLogP3.12
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334752
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
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110329416
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)ethylamino]propan-1-one
CID 109025362
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000606
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
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-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one (CID 110333123) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one is COc1ccccc1-c1nc(CCC(=O)N2CCC3(CC2)OCCO3)cs1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is DUVVSXIZLVRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-24-17-5-3-2-4-16(17)19-21-15(14-27-19)6-7-18(23)22-10-8-20(9-11-22)25-12-13-26-20/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 388.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 110333123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).