2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C15H28Cl2N4OS — CID 119851279

IUPAC2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CCCNC(=O)c2csc(CN)n2)C1.Cl.Cl
InChIInChI=1S/C15H26N4OS.2ClH/c1-11-6-12(2)9-19(8-11)5-3-4-17-15(20)13-10-21-14(7-16)18-13;;/h10-12H,3-9,16H2,1-2H3,(H,17,20);2*1H
InChIKeyNTXXMAKQLBUXKO-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.54
Rot. Bonds6

About 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119851279) has the molecular formula C15H28Cl2N4OS and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119851279
Molecular FormulaC15H28Cl2N4OS
Molecular Weight383.39 g/mol
Exact Mass382.14
IUPAC Name2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CC(C)CN(CCCNC(=O)c2csc(CN)n2)C1.Cl.Cl
InChIInChI=1S/C15H26N4OS.2ClH/c1-11-6-12(2)9-19(8-11)5-3-4-17-15(20)13-10-21-14(7-16)18-13;;/h10-12H,3-9,16H2,1-2H3,(H,17,20);2*1H
InChIKeyNTXXMAKQLBUXKO-UHFFFAOYSA-N
XLogP2.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119851279) is 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CC(C)CN(CCCNC(=O)c2csc(CN)n2)C1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is NTXXMAKQLBUXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.2ClH/c1-11-6-12(2)9-19(8-11)5-3-4-17-15(20)13-10-21-14(7-16)18-13;;/h10-12H,3-9,16H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 383.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119851279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).