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

C16H22Cl2N4OS — CID 119856818

IUPAC2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CNC(=O)c1csc(CN)n1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H20N4OS.2ClH/c1-11(20-7-6-12-4-2-3-5-14(12)20)9-18-16(21)13-10-22-15(8-17)19-13;;/h2-5,10-11H,6-9,17H2,1H3,(H,18,21);2*1H
InChIKeyUMQRMMBQSDCLFD-UHFFFAOYSA-N
MW389.35 g/mol
LogP2.63
Rot. Bonds5

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

2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119856818) has the molecular formula C16H22Cl2N4OS and a molecular weight of 389.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119856818
Molecular FormulaC16H22Cl2N4OS
Molecular Weight389.35 g/mol
Exact Mass388.09
IUPAC Name2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(CNC(=O)c1csc(CN)n1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H20N4OS.2ClH/c1-11(20-7-6-12-4-2-3-5-14(12)20)9-18-16(21)13-10-22-15(8-17)19-13;;/h2-5,10-11H,6-9,17H2,1H3,(H,18,21);2*1H
InChIKeyUMQRMMBQSDCLFD-UHFFFAOYSA-N
XLogP2.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579
2-(aminomethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119850047
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 47035342
2-(2-aminoethyl)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120642124
3-[2-(2,3-dihydroindol-1-yl)propyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421567

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119856818) is 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC(CNC(=O)c1csc(CN)n1)N1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UMQRMMBQSDCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.2ClH/c1-11(20-7-6-12-4-2-3-5-14(12)20)9-18-16(21)13-10-22-15(8-17)19-13;;/h2-5,10-11H,6-9,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 389.35 g/mol, XLogP of 2.63, 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-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119856818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).