5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole

C14H23N3S — CID 120906886

IUPAC5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
SMILESCCc1ncc(CN2CCC3(CCNCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-13-16-9-12(18-13)10-17-8-5-14(11-17)3-6-15-7-4-14/h9,15H,2-8,10-11H2,1H3
InChIKeyNZWHMGNRUROPRO-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.28
Rot. Bonds3

About 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole (PubChem CID 120906886) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
PubChem CID120906886
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
SMILESCCc1ncc(CN2CCC3(CCNCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-13-16-9-12(18-13)10-17-8-5-14(11-17)3-6-15-7-4-14/h9,15H,2-8,10-11H2,1H3
InChIKeyNZWHMGNRUROPRO-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 120907392
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 120906913
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120907613
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228
2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191023
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The IUPAC name of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole (CID 120906886) is 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole is CCc1ncc(CN2CCC3(CCNCC3)C2)s1.
What is the InChIKey of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
The InChIKey is NZWHMGNRUROPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-13-16-9-12(18-13)10-17-8-5-14(11-17)3-6-15-7-4-14/h9,15H,2-8,10-11H2,1H3.
What are the key properties of 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole?
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 120906886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).