2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C15H28Cl2N4OS — CID 119852710

IUPAC2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CCCN(CCCCNC(=O)c2csc(CN)n2)C1.Cl.Cl
InChIInChI=1S/C15H26N4OS.2ClH/c1-12-5-4-8-19(10-12)7-3-2-6-17-15(20)13-11-21-14(9-16)18-13;;/h11-12H,2-10,16H2,1H3,(H,17,20);2*1H
InChIKeyUBQWMRYAWTZVNA-UHFFFAOYSA-N
MW383.39 g/mol
LogP2.69
Rot. Bonds7

About 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119852710) has the molecular formula C15H28Cl2N4OS and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119852710
Molecular FormulaC15H28Cl2N4OS
Molecular Weight383.39 g/mol
Exact Mass382.14
IUPAC Name2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CCCN(CCCCNC(=O)c2csc(CN)n2)C1.Cl.Cl
InChIInChI=1S/C15H26N4OS.2ClH/c1-12-5-4-8-19(10-12)7-3-2-6-17-15(20)13-11-21-14(9-16)18-13;;/h11-12H,2-10,16H2,1H3,(H,17,20);2*1H
InChIKeyUBQWMRYAWTZVNA-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 52.69
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-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
CID 86832223
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
2-(2-aminoethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641597
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
1-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047889
2-(2-aminoethyl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373433
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
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-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119852710) is 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CCCN(CCCCNC(=O)c2csc(CN)n2)C1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UBQWMRYAWTZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.2ClH/c1-12-5-4-8-19(10-12)7-3-2-6-17-15(20)13-11-21-14(9-16)18-13;;/h11-12H,2-10,16H2,1H3,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 383.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119852710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).