N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

C14H14N2O3S — CID 2122298

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccccc2)nc1C
InChIInChI=1S/C14H14N2O3S/c1-9-13(10(2)17)20-14(15-9)16-12(18)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHBXPPFFCHIXCOV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.67
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (PubChem CID 2122298) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
PubChem CID2122298
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccccc2)nc1C
InChIInChI=1S/C14H14N2O3S/c1-9-13(10(2)17)20-14(15-9)16-12(18)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyHBXPPFFCHIXCOV-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (CID 2122298) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is CC(=O)c1sc(NC(=O)COc2ccccc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is HBXPPFFCHIXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-13(10(2)17)20-14(15-9)16-12(18)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 290.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2122298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).