2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone

C13H19N3OS — CID 114031315

IUPAC2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H19N3OS/c17-12(11-7-15-10-18-11)16-6-2-4-13(9-16)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2
InChIKeyZWUFJHSESZWYBL-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.75
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone (PubChem CID 114031315) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
PubChem CID114031315
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H19N3OS/c17-12(11-7-15-10-18-11)16-6-2-4-13(9-16)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2
InChIKeyZWUFJHSESZWYBL-UHFFFAOYSA-N
XLogP1.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 125443768
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
CID 102849542
[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 154888814

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone (CID 114031315) is 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone?
The InChIKey is ZWUFJHSESZWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-12(11-7-15-10-18-11)16-6-2-4-13(9-16)3-1-5-14-8-13/h7,10,14H,1-6,8-9H2.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 114031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).