2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide

C14H15N3O2S — CID 14978593

IUPAC2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1nccs1
InChIInChI=1S/C14H15N3O2S/c1-10(18)17-12(14-15-7-8-20-14)13(19)16-9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGJSXNTZBKCDSSY-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.64
Rot. Bonds5

About 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide

2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 14978593) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
PubChem CID14978593
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)c1nccs1
InChIInChI=1S/C14H15N3O2S/c1-10(18)17-12(14-15-7-8-20-14)13(19)16-9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGJSXNTZBKCDSSY-UHFFFAOYSA-N
XLogP1.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
CID 58115516
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 54513185
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-acetamido-N-benzyl-2-(2-hydroxy-5-methylphenyl)acetamide
CID 14212844
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
CID 175377376
N-benzyl-2-methylpropanamide;methane
CID 160760567

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide (CID 14978593) is 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide is CC(=O)NC(C(=O)NCc1ccccc1)c1nccs1.
What is the InChIKey of 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GJSXNTZBKCDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10(18)17-12(14-15-7-8-20-14)13(19)16-9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide?
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 14978593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).