N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide

C11H18N2O2S2 — CID 5329680

IUPACN-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCOC(C)(C)C)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(14)13-10-12-7-9(17-10)16-6-5-15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZHJXNAAGLMZLPP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.01
Rot. Bonds5

About N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329680) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329680
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCCOC(C)(C)C)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(14)13-10-12-7-9(17-10)16-6-5-15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyZHJXNAAGLMZLPP-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-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 N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329680) is N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCCOC(C)(C)C)s1.
What is the InChIKey of N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZHJXNAAGLMZLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(14)13-10-12-7-9(17-10)16-6-5-15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).