2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H20N4OS — CID 2987387

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H20N4OS/c1-13-4-2-3-5-14(13)20-9-7-19(8-10-20)12-15(21)18-16-17-6-11-22-16/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)
InChIKeyHSXGMYSYAOOYPM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2987387) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2987387
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C16H20N4OS/c1-13-4-2-3-5-14(13)20-9-7-19(8-10-20)12-15(21)18-16-17-6-11-22-16/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)
InChIKeyHSXGMYSYAOOYPM-UHFFFAOYSA-N
XLogP2.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 2987387) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccccc1N1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HSXGMYSYAOOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-13-4-2-3-5-14(13)20-9-7-19(8-10-20)12-15(21)18-16-17-6-11-22-16/h2-6,11H,7-10,12H2,1H3,(H,17,18,21).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2987387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).