2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide

C13H21N3O2S — CID 3547383

IUPAC2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1nccs1)C(C)=O
InChIInChI=1S/C13H21N3O2S/c1-3-4-5-6-8-16(11(2)17)10-12(18)15-13-14-7-9-19-13/h7,9H,3-6,8,10H2,1-2H3,(H,14,15,18)
InChIKeyGTJFQLTZFKCVCI-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.51
Rot. Bonds8

About 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide

2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3547383) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3547383
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1nccs1)C(C)=O
InChIInChI=1S/C13H21N3O2S/c1-3-4-5-6-8-16(11(2)17)10-12(18)15-13-14-7-9-19-13/h7,9H,3-6,8,10H2,1-2H3,(H,14,15,18)
InChIKeyGTJFQLTZFKCVCI-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 3547383) is 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide is CCCCCCN(CC(=O)Nc1nccs1)C(C)=O.
What is the InChIKey of 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GTJFQLTZFKCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-4-5-6-8-16(11(2)17)10-12(18)15-13-14-7-9-19-13/h7,9H,3-6,8,10H2,1-2H3,(H,14,15,18).
What are the key properties of 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(hexyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3547383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).