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

C17H22N4OS — CID 3152694

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C
InChIInChI=1S/C17H22N4OS/c1-13-4-3-5-15(14(13)2)21-9-7-20(8-10-21)12-16(22)19-17-18-6-11-23-17/h3-6,11H,7-10,12H2,1-2H3,(H,18,19,22)
InChIKeyVBAMLJDJYMFHGL-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.52
Rot. Bonds4

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3152694) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3152694
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C
InChIInChI=1S/C17H22N4OS/c1-13-4-3-5-15(14(13)2)21-9-7-20(8-10-21)12-16(22)19-17-18-6-11-23-17/h3-6,11H,7-10,12H2,1-2H3,(H,18,19,22)
InChIKeyVBAMLJDJYMFHGL-UHFFFAOYSA-N
XLogP2.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 3152694) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VBAMLJDJYMFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-4-3-5-15(14(13)2)21-9-7-20(8-10-21)12-16(22)19-17-18-6-11-23-17/h3-6,11H,7-10,12H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3152694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).