2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

C17H22Cl3N5O2S — CID 119833689

IUPAC2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C17H20ClN5O2S.2ClH/c18-12-3-1-2-4-13(12)20-15(24)10-22-5-7-23(8-6-22)17(25)14-11-26-16(9-19)21-14;;/h1-4,11H,5-10,19H2,(H,20,24);2*1H
InChIKeyOZKQKZVRKMPGHR-UHFFFAOYSA-N
MW466.82 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (PubChem CID 119833689) has the molecular formula C17H22Cl3N5O2S and a molecular weight of 466.82 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
PubChem CID119833689
Molecular FormulaC17H22Cl3N5O2S
Molecular Weight466.82 g/mol
Exact Mass465.06
IUPAC Name2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C17H20ClN5O2S.2ClH/c18-12-3-1-2-4-13(12)20-15(24)10-22-5-7-23(8-6-22)17(25)14-11-26-16(9-19)21-14;;/h1-4,11H,5-10,19H2,(H,20,24);2*1H
InChIKeyOZKQKZVRKMPGHR-UHFFFAOYSA-N
XLogP2.50
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 39440649
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119684716
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
ethyl 6-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55600906
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
CID 138037299
2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 119848862
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 26815081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (CID 119833689) is 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cs1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The InChIKey is OZKQKZVRKMPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S.2ClH/c18-12-3-1-2-4-13(12)20-15(24)10-22-5-7-23(8-6-22)17(25)14-11-26-16(9-19)21-14;;/h1-4,11H,5-10,19H2,(H,20,24);2*1H.
What are the key properties of 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride has a molecular weight of 466.82 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is sourced from PubChem (CID 119833689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).