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

C11H18ClN3S — CID 120908002

IUPAC2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(CN2CCC3(CCNC3)C2)n1
InChIInChI=1S/C11H17N3S.ClH/c1-3-12-8-11(1)2-5-14(9-11)7-10-13-4-6-15-10;/h4,6,12H,1-3,5,7-9H2;1H
InChIKeyZTCLRNNEPQVRDW-UHFFFAOYSA-N
MW259.81 g/mol
LogP1.75
Rot. Bonds2

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

2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride (PubChem CID 120908002) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
PubChem CID120908002
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(CN2CCC3(CCNC3)C2)n1
InChIInChI=1S/C11H17N3S.ClH/c1-3-12-8-11(1)2-5-14(9-11)7-10-13-4-6-15-10;/h4,6,12H,1-3,5,7-9H2;1H
InChIKeyZTCLRNNEPQVRDW-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120907613
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
2-(1H-pyrazol-5-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 120908157
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(1-methyltriazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907965
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908506

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride (CID 120908002) is 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride is Cl.c1csc(CN2CCC3(CCNC3)C2)n1.
What is the InChIKey of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride?
The InChIKey is ZTCLRNNEPQVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S.ClH/c1-3-12-8-11(1)2-5-14(9-11)7-10-13-4-6-15-10;/h4,6,12H,1-3,5,7-9H2;1H.
What are the key properties of 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride?
2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride has a molecular weight of 259.81 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120908002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).