2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C18H26Cl2N4OS — CID 119850047

IUPAC2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(CNC(=O)c1csc(CN)n1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H24N4OS.2ClH/c1-18(2,12-20-17(23)15-11-24-16(9-19)21-15)22-8-7-13-5-3-4-6-14(13)10-22;;/h3-6,11H,7-10,12,19H2,1-2H3,(H,20,23);2*1H
InChIKeyUFUVEUBTTUESQL-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.01
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119850047) has the molecular formula C18H26Cl2N4OS and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119850047
Molecular FormulaC18H26Cl2N4OS
Molecular Weight417.41 g/mol
Exact Mass416.12
IUPAC Name2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(CNC(=O)c1csc(CN)n1)N1CCc2ccccc2C1.Cl.Cl
InChIInChI=1S/C18H24N4OS.2ClH/c1-18(2,12-20-17(23)15-11-24-16(9-19)21-15)22-8-7-13-5-3-4-6-14(13)10-22;;/h3-6,11H,7-10,12,19H2,1-2H3,(H,20,23);2*1H
InChIKeyUFUVEUBTTUESQL-UHFFFAOYSA-N
XLogP3.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-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

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 33166450
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55690485
2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66391054
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxybenzamide
CID 32764937
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504846
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(2-aminoethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645328
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119850016

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119850047) is 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)(CNC(=O)c1csc(CN)n1)N1CCc2ccccc2C1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UFUVEUBTTUESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.2ClH/c1-18(2,12-20-17(23)15-11-24-16(9-19)21-15)22-8-7-13-5-3-4-6-14(13)10-22;;/h3-6,11H,7-10,12,19H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 417.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119850047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).