2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride

C17H32Cl3N5OS — CID 119903545

IUPAC2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
SMILESCN1CCC(CNC(=O)c2csc(CN)n2)(N2CCCCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H29N5OS.3ClH/c1-21-9-5-17(6-10-21,22-7-3-2-4-8-22)13-19-16(23)14-12-24-15(11-18)20-14;;;/h12H,2-11,13,18H2,1H3,(H,19,23);3*1H
InChIKeyZMLCNVIHNPQBNO-UHFFFAOYSA-N
MW460.90 g/mol
LogP2.55
Rot. Bonds5

About 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride

2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride (PubChem CID 119903545) has the molecular formula C17H32Cl3N5OS and a molecular weight of 460.90 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
PubChem CID119903545
Molecular FormulaC17H32Cl3N5OS
Molecular Weight460.90 g/mol
Exact Mass459.14
IUPAC Name2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
SMILESCN1CCC(CNC(=O)c2csc(CN)n2)(N2CCCCC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H29N5OS.3ClH/c1-21-9-5-17(6-10-21,22-7-3-2-4-8-22)13-19-16(23)14-12-24-15(11-18)20-14;;;/h12H,2-11,13,18H2,1H3,(H,19,23);3*1H
InChIKeyZMLCNVIHNPQBNO-UHFFFAOYSA-N
XLogP2.55
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride with MolForge

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Related Compounds

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2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 120643873
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
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2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
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(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
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2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
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2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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2-(aminomethyl)-N-[1-(propylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride (CID 119903545) is 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride is CN1CCC(CNC(=O)c2csc(CN)n2)(N2CCCCC2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride?
The InChIKey is ZMLCNVIHNPQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS.3ClH/c1-21-9-5-17(6-10-21,22-7-3-2-4-8-22)13-19-16(23)14-12-24-15(11-18)20-14;;;/h12H,2-11,13,18H2,1H3,(H,19,23);3*1H.
What are the key properties of 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride?
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride has a molecular weight of 460.90 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride is sourced from PubChem (CID 119903545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).