2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide

C17H23N5OS — CID 91839293

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3snnc3C)CC2)c1
InChIInChI=1S/C17H23N5OS/c1-13-4-3-5-15(10-13)22-8-6-21(7-9-22)12-17(23)18-11-16-14(2)19-20-24-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyOEEJKDMDUOOWHP-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide (PubChem CID 91839293) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
PubChem CID91839293
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCc3snnc3C)CC2)c1
InChIInChI=1S/C17H23N5OS/c1-13-4-3-5-15(10-13)22-8-6-21(7-9-22)12-17(23)18-11-16-14(2)19-20-24-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyOEEJKDMDUOOWHP-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
CID 86286611
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide (CID 91839293) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide is Cc1cccc(N2CCN(CC(=O)NCc3snnc3C)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is OEEJKDMDUOOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-4-3-5-15(10-13)22-8-6-21(7-9-22)12-17(23)18-11-16-14(2)19-20-24-16/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,23).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-methylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91839293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).