2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

C17H24ClN3OS — CID 120618164

IUPAC2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-3-13(2)20(11-14-7-5-4-6-8-14)17(21)15-12-22-16(19-15)9-10-18;/h4-8,12-13H,3,9-11,18H2,1-2H3;1H
InChIKeyFIQLPPQSBRQTPH-UHFFFAOYSA-N
MW353.92 g/mol
LogP3.51
Rot. Bonds7

About 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120618164) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120618164
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC Name2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-3-13(2)20(11-14-7-5-4-6-8-14)17(21)15-12-22-16(19-15)9-10-18;/h4-8,12-13H,3,9-11,18H2,1-2H3;1H
InChIKeyFIQLPPQSBRQTPH-UHFFFAOYSA-N
XLogP3.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-N-benzyl-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-(1-phenylpentan-2-yl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
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2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-pentan-2-yl-N-pentyl-1,3-thiazole-4-carboxamide;hydrochloride
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3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
CID 61116582
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120618164) is 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is CCC(C)N(Cc1ccccc1)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FIQLPPQSBRQTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.ClH/c1-3-13(2)20(11-14-7-5-4-6-8-14)17(21)15-12-22-16(19-15)9-10-18;/h4-8,12-13H,3,9-11,18H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).