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

C17H22N4OS — CID 657870

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H22N4OS/c1-19-8-10-21(11-9-19)12-16(22)20(2)17-18-15(13-23-17)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyNUUPQAAQNGYKET-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.02
Rot. Bonds4

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

N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 657870) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID657870
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H22N4OS/c1-19-8-10-21(11-9-19)12-16(22)20(2)17-18-15(13-23-17)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyNUUPQAAQNGYKET-UHFFFAOYSA-N
XLogP2.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 657870) is N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is CN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NUUPQAAQNGYKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-19-8-10-21(11-9-19)12-16(22)20(2)17-18-15(13-23-17)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 657870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).