N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C17H24ClN3OS — CID 119571134

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1csc(-c2ccccc2C)n1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-4-17(5-2,11-18)20-15(21)14-10-22-16(19-14)13-9-7-6-8-12(13)3;/h6-10H,4-5,11,18H2,1-3H3,(H,20,21);1H
InChIKeyFWMGGODTUBSRFB-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.79
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119571134) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119571134
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1csc(-c2ccccc2C)n1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-4-17(5-2,11-18)20-15(21)14-10-22-16(19-14)13-9-7-6-8-12(13)3;/h6-10H,4-5,11,18H2,1-3H3,(H,20,21);1H
InChIKeyFWMGGODTUBSRFB-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
N-[3-(aminomethyl)pentan-3-yl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 119570302
N-[3-(aminomethyl)pentan-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 119569947
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119616438
2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623106
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119571134) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1csc(-c2ccccc2C)n1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FWMGGODTUBSRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.ClH/c1-4-17(5-2,11-18)20-15(21)14-10-22-16(19-14)13-9-7-6-8-12(13)3;/h6-10H,4-5,11,18H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).