2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

C22H25N5O2S — CID 163368426

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)s1
InChIInChI=1S/C22H25N5O2S/c1-16(28)24-22-23-13-18(30-22)14-26-9-11-27(12-10-26)15-21(29)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyXMXIFBGBRCPLDG-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.01
Rot. Bonds6

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 163368426) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID163368426
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)s1
InChIInChI=1S/C22H25N5O2S/c1-16(28)24-22-23-13-18(30-22)14-26-9-11-27(12-10-26)15-21(29)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,23,24,28)
InChIKeyXMXIFBGBRCPLDG-UHFFFAOYSA-N
XLogP3.01
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-5-yl-urea
CID 9901793
1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-8-yl-urea
CID 9923300
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368403
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
CID 163368412
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-benzylphenyl)acetamide
CID 163368421
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 163368422
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 163368434
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-phenylacetamide
CID 163368435
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-propan-2-ylphenyl)acetamide
CID 163368440
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-quinolin-6-ylpiperidine-4-carboxamide
CID 163368445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide (CID 163368426) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is CC(=O)Nc1ncc(CN2CCN(CC(=O)Nc3cccc4ccccc34)CC2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is XMXIFBGBRCPLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-16(28)24-22-23-13-18(30-22)14-26-9-11-27(12-10-26)15-21(29)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,13H,9-12,14-15H2,1H3,(H,25,29)(H,23,24,28).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 423.54 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 163368426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).