1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone

C13H15N3O3S — CID 110853655

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESO=C(c1cn2ccsc2n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15N3O3S/c17-11(10-9-16-5-8-20-12(16)14-10)15-3-1-13(2-4-15)18-6-7-19-13/h5,8-9H,1-4,6-7H2
InChIKeyIYSXJMOCUCEMRU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.37
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone (PubChem CID 110853655) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone
PubChem CID110853655
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone
SMILESO=C(c1cn2ccsc2n1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15N3O3S/c17-11(10-9-16-5-8-20-12(16)14-10)15-3-1-13(2-4-15)18-6-7-19-13/h5,8-9H,1-4,6-7H2
InChIKeyIYSXJMOCUCEMRU-UHFFFAOYSA-N
XLogP1.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
CID 56865263
1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56889059
imidazo[2,1-b][1,3]thiazol-6-yl-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135107101
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853246
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
(5R)-7-(cyclopropylmethyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126435510
2-[(4aS,8aS)-4a-(hydroxymethyl)-7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]acetic acid
CID 135098986
[1-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56870773

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone (CID 110853655) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone is O=C(c1cn2ccsc2n1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone?
The InChIKey is IYSXJMOCUCEMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11(10-9-16-5-8-20-12(16)14-10)15-3-1-13(2-4-15)18-6-7-19-13/h5,8-9H,1-4,6-7H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone has a molecular weight of 293.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imidazo[2,1-b][1,3]thiazol-6-yl)methanone is sourced from PubChem (CID 110853655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).