N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C17H22BrCl2N3OS — CID 119604473

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H20BrN3OS.2ClH/c18-13-5-1-3-11(7-13)17-20-14(10-23-17)8-16(22)21-15-6-2-4-12(15)9-19;;/h1,3,5,7,10,12,15H,2,4,6,8-9,19H2,(H,21,22);2*1H
InChIKeyZAFOXCKEAULVBA-UHFFFAOYSA-N
MW467.26 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119604473) has the molecular formula C17H22BrCl2N3OS and a molecular weight of 467.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119604473
Molecular FormulaC17H22BrCl2N3OS
Molecular Weight467.26 g/mol
Exact Mass465.00
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H20BrN3OS.2ClH/c18-13-5-1-3-11(7-13)17-20-14(10-23-17)8-16(22)21-15-6-2-4-12(15)9-19;;/h1,3,5,7,10,12,15H,2,4,6,8-9,19H2,(H,21,22);2*1H
InChIKeyZAFOXCKEAULVBA-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 55363994
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119571480
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119604992
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanamide
CID 78795361
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489302
N-[2-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119603119
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119604473) is N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is Cl.Cl.NCC1CCCC1NC(=O)Cc1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is ZAFOXCKEAULVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3OS.2ClH/c18-13-5-1-3-11(7-13)17-20-14(10-23-17)8-16(22)21-15-6-2-4-12(15)9-19;;/h1,3,5,7,10,12,15H,2,4,6,8-9,19H2,(H,21,22);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 467.26 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119604473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).