2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride

C15H27Cl2N3S — CID 154902980

IUPAC2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1csc(CN2CCCC3(CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C15H25N3S.2ClH/c1-13-12-19-14(17-13)11-18-9-2-3-15(6-10-18)4-7-16-8-5-15;;/h12,16H,2-11H2,1H3;2*1H
InChIKeyLMBUAMUIGGGENM-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.65
Rot. Bonds2

About 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride

2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride (PubChem CID 154902980) has the molecular formula C15H27Cl2N3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
PubChem CID154902980
Molecular FormulaC15H27Cl2N3S
Molecular Weight352.38 g/mol
Exact Mass351.13
IUPAC Name2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
SMILESCc1csc(CN2CCCC3(CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C15H25N3S.2ClH/c1-13-12-19-14(17-13)11-18-9-2-3-15(6-10-18)4-7-16-8-5-15;;/h12,16H,2-11H2,1H3;2*1H
InChIKeyLMBUAMUIGGGENM-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 77096135
2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 170071453
9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
CID 98894829
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895101
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol
CID 103982927

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride (CID 154902980) is 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride is Cc1csc(CN2CCCC3(CCNCC3)CC2)n1.Cl.Cl.
What is the InChIKey of 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride?
The InChIKey is LMBUAMUIGGGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S.2ClH/c1-13-12-19-14(17-13)11-18-9-2-3-15(6-10-18)4-7-16-8-5-15;;/h12,16H,2-11H2,1H3;2*1H.
What are the key properties of 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride?
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride has a molecular weight of 352.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 154902980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).