2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole

C14H23N3S — CID 102850533

IUPAC2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCCC3(CCCNC3)C2)sc1C
InChIInChI=1S/C14H23N3S/c1-11-12(2)18-13(16-11)17-8-4-6-14(10-17)5-3-7-15-9-14/h15H,3-10H2,1-2H3
InChIKeyXIKUMJVYIFRRFY-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.73
Rot. Bonds1

About 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole

2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 102850533) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID102850533
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCCC3(CCCNC3)C2)sc1C
InChIInChI=1S/C14H23N3S/c1-11-12(2)18-13(16-11)17-8-4-6-14(10-17)5-3-7-15-9-14/h15H,3-10H2,1-2H3
InChIKeyXIKUMJVYIFRRFY-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylpiperidin-3-ol
CID 115871396
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
(5S)-7-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2,7-diazaspiro[4.5]decane
CID 95211576
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615
2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849258
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole (CID 102850533) is 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(N2CCCC3(CCCNC3)C2)sc1C.
What is the InChIKey of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is XIKUMJVYIFRRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-12(2)18-13(16-11)17-8-4-6-14(10-17)5-3-7-15-9-14/h15H,3-10H2,1-2H3.
What are the key properties of 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole?
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 102850533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).