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

C15H16N2O2S — CID 9232883

IUPAC2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
SMILESCC(=O)c1sc(CC(=O)NCc2ccccc2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-10-15(11(2)18)20-14(17-10)8-13(19)16-9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyJEZFBQRYIZHDCW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.51
Rot. Bonds5

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

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide (PubChem CID 9232883) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
PubChem CID9232883
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
SMILESCC(=O)c1sc(CC(=O)NCc2ccccc2)nc1C
InChIInChI=1S/C15H16N2O2S/c1-10-15(11(2)18)20-14(17-10)8-13(19)16-9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyJEZFBQRYIZHDCW-UHFFFAOYSA-N
XLogP2.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936
2-(2-hydrazinyl-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122172016
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9147935
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide?
The IUPAC name of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide (CID 9232883) is 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide?
The canonical SMILES for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide is CC(=O)c1sc(CC(=O)NCc2ccccc2)nc1C.
What is the InChIKey of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide?
The InChIKey is JEZFBQRYIZHDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-15(11(2)18)20-14(17-10)8-13(19)16-9-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide?
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide is sourced from PubChem (CID 9232883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).