1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone

C11H14N2O3S — CID 103860774

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C11H14N2O3S/c14-10(9-6-12-8-17-9)13-3-1-2-11(7-13)15-4-5-16-11/h6,8H,1-5,7H2
InChIKeyHZBQWFBYMNNMHY-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.12
Rot. Bonds1

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone (PubChem CID 103860774) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
PubChem CID103860774
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C11H14N2O3S/c14-10(9-6-12-8-17-9)13-3-1-2-11(7-13)15-4-5-16-11/h6,8H,1-5,7H2
InChIKeyHZBQWFBYMNNMHY-UHFFFAOYSA-N
XLogP1.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 106994159
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
1'-(1,3-thiazole-5-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 133069377
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone (CID 103860774) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone?
The InChIKey is HZBQWFBYMNNMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-10(9-6-12-8-17-9)13-3-1-2-11(7-13)15-4-5-16-11/h6,8H,1-5,7H2.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 103860774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).