[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride

C15H26Cl2N4OS — CID 119899850

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2csc(CN)n2)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C15H24N4OS.2ClH/c1-18-7-8-19(15(11-18)5-3-2-4-6-15)14(20)12-10-21-13(9-16)17-12;;/h10H,2-9,11,16H2,1H3;2*1H
InChIKeyLVWRYFUHUQCHDY-UHFFFAOYSA-N
MW381.37 g/mol
LogP2.54
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride (PubChem CID 119899850) has the molecular formula C15H26Cl2N4OS and a molecular weight of 381.37 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
PubChem CID119899850
Molecular FormulaC15H26Cl2N4OS
Molecular Weight381.37 g/mol
Exact Mass380.12
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2csc(CN)n2)C2(CCCCC2)C1.Cl.Cl
InChIInChI=1S/C15H24N4OS.2ClH/c1-18-7-8-19(15(11-18)5-3-2-4-6-15)14(20)12-10-21-13(9-16)17-12;;/h10H,2-9,11,16H2,1H3;2*1H
InChIKeyLVWRYFUHUQCHDY-UHFFFAOYSA-N
XLogP2.54
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
[2-(aminomethyl)-1,3-thiazol-4-yl]-(8-azaspiro[4.5]decan-8-yl)methanone
CID 66379254
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 66381589
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 66378865
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220250
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119686916

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride (CID 119899850) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride is CN1CCN(C(=O)c2csc(CN)n2)C2(CCCCC2)C1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
The InChIKey is LVWRYFUHUQCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS.2ClH/c1-18-7-8-19(15(11-18)5-3-2-4-6-15)14(20)12-10-21-13(9-16)17-12;;/h10H,2-9,11,16H2,1H3;2*1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride has a molecular weight of 381.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119899850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).