5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride

C13H22ClN3S — CID 120908014

IUPAC5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride
SMILESCc1nc(C)c(CN2CCC3(CCNC3)C2)s1.Cl
InChIInChI=1S/C13H21N3S.ClH/c1-10-12(17-11(2)15-10)7-16-6-4-13(9-16)3-5-14-8-13;/h14H,3-9H2,1-2H3;1H
InChIKeyUWVUXUMCSYHMKA-UHFFFAOYSA-N
MW287.86 g/mol
LogP2.37
Rot. Bonds2

About 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride

5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride (PubChem CID 120908014) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride
PubChem CID120908014
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride
SMILESCc1nc(C)c(CN2CCC3(CCNC3)C2)s1.Cl
InChIInChI=1S/C13H21N3S.ClH/c1-10-12(17-11(2)15-10)7-16-6-4-13(9-16)3-5-14-8-13;/h14H,3-9H2,1-2H3;1H
InChIKeyUWVUXUMCSYHMKA-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
CID 120908002
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-[(2,4-dimethylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907707
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
2-ethyl-2,7-diazaspiro[4.4]nonane chloride
CID 53314750
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride (CID 120908014) is 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride is Cc1nc(C)c(CN2CCC3(CCNC3)C2)s1.Cl.
What is the InChIKey of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride?
The InChIKey is UWVUXUMCSYHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S.ClH/c1-10-12(17-11(2)15-10)7-16-6-4-13(9-16)3-5-14-8-13;/h14H,3-9H2,1-2H3;1H.
What are the key properties of 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride?
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride has a molecular weight of 287.86 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2,4-dimethyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120908014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).