N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H20N6OS — CID 120871075

IUPACN-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCNCC1c1nccn1C)c1nccs1
InChIInChI=1S/C14H20N6OS/c1-18-6-4-16-13(18)11-9-15-3-7-20(11)10-12(21)19(2)14-17-5-8-22-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyHBFREDNHKJERMN-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.49
Rot. Bonds4

About N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 120871075) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID120871075
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCNCC1c1nccn1C)c1nccs1
InChIInChI=1S/C14H20N6OS/c1-18-6-4-16-13(18)11-9-15-3-7-20(11)10-12(21)19(2)14-17-5-8-22-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyHBFREDNHKJERMN-UHFFFAOYSA-N
XLogP0.49
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870995
N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870455
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870243
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871375
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 120871075) is N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(C(=O)CN1CCNCC1c1nccn1C)c1nccs1.
What is the InChIKey of N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HBFREDNHKJERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-18-6-4-16-13(18)11-9-15-3-7-20(11)10-12(21)19(2)14-17-5-8-22-14/h4-6,8,11,15H,3,7,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 120871075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).