2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

C13H22ClN5O2S — CID 119915081

IUPAC2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN(C)CC(=O)N2CCNCC2)n1.Cl
InChIInChI=1S/C13H21N5O2S.ClH/c1-10-9-21-13(15-10)16-11(19)7-17(2)8-12(20)18-5-3-14-4-6-18;/h9,14H,3-8H2,1-2H3,(H,15,16,19);1H
InChIKeyIJLLKQHOVNHPFV-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.18
Rot. Bonds5

About 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 119915081) has the molecular formula C13H22ClN5O2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID119915081
Molecular FormulaC13H22ClN5O2S
Molecular Weight347.87 g/mol
Exact Mass347.12
IUPAC Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCc1csc(NC(=O)CN(C)CC(=O)N2CCNCC2)n1.Cl
InChIInChI=1S/C13H21N5O2S.ClH/c1-10-9-21-13(15-10)16-11(19)7-17(2)8-12(20)18-5-3-14-4-6-18;/h9,14H,3-8H2,1-2H3,(H,15,16,19);1H
InChIKeyIJLLKQHOVNHPFV-UHFFFAOYSA-N
XLogP0.18
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
CID 62013090
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915065
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 65198629
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 119915081) is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is Cc1csc(NC(=O)CN(C)CC(=O)N2CCNCC2)n1.Cl.
What is the InChIKey of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is IJLLKQHOVNHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S.ClH/c1-10-9-21-13(15-10)16-11(19)7-17(2)8-12(20)18-5-3-14-4-6-18;/h9,14H,3-8H2,1-2H3,(H,15,16,19);1H.
What are the key properties of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119915081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).