2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C16H20N4OS — CID 658908

IUPAC2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H20N4OS/c1-19-7-9-20(10-8-19)11-15(21)18-16-17-14(12-22-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18,21)
InChIKeyIUNCAZBAFSCGKT-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 658908) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID658908
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H20N4OS/c1-19-7-9-20(10-8-19)11-15(21)18-16-17-14(12-22-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18,21)
InChIKeyIUNCAZBAFSCGKT-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 658908) is 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IUNCAZBAFSCGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-19-7-9-20(10-8-19)11-15(21)18-16-17-14(12-22-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 658908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).