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

C16H30Cl2N4O2S — CID 119887540

IUPAC2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCOCCCN1CCC(NC(=O)c2csc(CN)n2)C(C)C1.Cl.Cl
InChIInChI=1S/C16H28N4O2S.2ClH/c1-3-22-8-4-6-20-7-5-13(12(2)10-20)19-16(21)14-11-23-15(9-17)18-14;;/h11-13H,3-10,17H2,1-2H3,(H,19,21);2*1H
InChIKeyWMJWXFPSILBMJU-UHFFFAOYSA-N
MW413.42 g/mol
LogP2.31
Rot. Bonds8

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

2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119887540) has the molecular formula C16H30Cl2N4O2S and a molecular weight of 413.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119887540
Molecular FormulaC16H30Cl2N4O2S
Molecular Weight413.42 g/mol
Exact Mass412.15
IUPAC Name2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCOCCCN1CCC(NC(=O)c2csc(CN)n2)C(C)C1.Cl.Cl
InChIInChI=1S/C16H28N4O2S.2ClH/c1-3-22-8-4-6-20-7-5-13(12(2)10-20)19-16(21)14-11-23-15(9-17)18-14;;/h11-13H,3-10,17H2,1-2H3,(H,19,21);2*1H
InChIKeyWMJWXFPSILBMJU-UHFFFAOYSA-N
XLogP2.31
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119887541
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 119887515
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798
3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
CID 96551104
2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119887540) is 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCOCCCN1CCC(NC(=O)c2csc(CN)n2)C(C)C1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is WMJWXFPSILBMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S.2ClH/c1-3-22-8-4-6-20-7-5-13(12(2)10-20)19-16(21)14-11-23-15(9-17)18-14;;/h11-13H,3-10,17H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 413.42 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119887540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).