N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C13H14N2OS — CID 891073

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1sc(NC(C)=O)nc1-c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-3-11-12(10-7-5-4-6-8-10)15-13(17-11)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyIJLXJHPYXFJFGG-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.33
Rot. Bonds3

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 891073) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID891073
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1sc(NC(C)=O)nc1-c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-3-11-12(10-7-5-4-6-8-10)15-13(17-11)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyIJLXJHPYXFJFGG-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 891073) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide is CCc1sc(NC(C)=O)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IJLXJHPYXFJFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-11-12(10-7-5-4-6-8-10)15-13(17-11)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 246.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 891073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).