2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide

C12H13N3O2S — CID 1355205

IUPAC2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
SMILESNC1=NC(=O)[C@H](CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)/t9-/m0/s1
InChIKeyDDIPBYADEICMPZ-VIFPVBQESA-N
MW263.32 g/mol
LogP0.65
Rot. Bonds4

About 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide (PubChem CID 1355205) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
PubChem CID1355205
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
SMILESNC1=NC(=O)[C@H](CC(=O)NCc2ccccc2)S1
InChIInChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)/t9-/m0/s1
InChIKeyDDIPBYADEICMPZ-VIFPVBQESA-N
XLogP0.65
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
2-[(5R)-2-[2-(benzylamino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylbutyl)acetamide
CID 9419881
6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 3158850
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
(3S,6S)-6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 6966137
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
2-[(4-aminophenyl)methylsulfonyl]-N-benzylacetamide
CID 94804309
N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21235061

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide?
The IUPAC name of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide (CID 1355205) is 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide?
The canonical SMILES for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide is NC1=NC(=O)[C@H](CC(=O)NCc2ccccc2)S1.
What is the InChIKey of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide?
The InChIKey is DDIPBYADEICMPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-12-15-11(17)9(18-12)6-10(16)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,16)(H2,13,15,17)/t9-/m0/s1.
What are the key properties of 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide?
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide has a molecular weight of 263.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide is sourced from PubChem (CID 1355205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).