N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

C16H22ClN5O2S — CID 154900256

IUPACN-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCN(Cc1ccsc1)C(=O)Cn1ncc(N2CCNCC2)cc1=O.Cl
InChIInChI=1S/C16H21N5O2S.ClH/c1-19(10-13-2-7-24-12-13)16(23)11-21-15(22)8-14(9-18-21)20-5-3-17-4-6-20;/h2,7-9,12,17H,3-6,10-11H2,1H3;1H
InChIKeyZBHFJJNCQCEIKE-UHFFFAOYSA-N
MW383.91 g/mol
LogP0.79
Rot. Bonds5

About N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (PubChem CID 154900256) has the molecular formula C16H22ClN5O2S and a molecular weight of 383.91 g/mol. Its IUPAC name is N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
PubChem CID154900256
Molecular FormulaC16H22ClN5O2S
Molecular Weight383.91 g/mol
Exact Mass383.12
IUPAC NameN-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCN(Cc1ccsc1)C(=O)Cn1ncc(N2CCNCC2)cc1=O.Cl
InChIInChI=1S/C16H21N5O2S.ClH/c1-19(10-13-2-7-24-12-13)16(23)11-21-15(22)8-14(9-18-21)20-5-3-17-4-6-20;/h2,7-9,12,17H,3-6,10-11H2,1H3;1H
InChIKeyZBHFJJNCQCEIKE-UHFFFAOYSA-N
XLogP0.79
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride with MolForge

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72893188
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5-piperazin-1-ylpyridazin-3-one
CID 29219667
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 70755597
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9320325
N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 34907845
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (CID 154900256) is N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is CN(Cc1ccsc1)C(=O)Cn1ncc(N2CCNCC2)cc1=O.Cl.
What is the InChIKey of N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is ZBHFJJNCQCEIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S.ClH/c1-19(10-13-2-7-24-12-13)16(23)11-21-15(22)8-14(9-18-21)20-5-3-17-4-6-20;/h2,7-9,12,17H,3-6,10-11H2,1H3;1H.
What are the key properties of N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 383.91 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 154900256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).