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

C12H13N3O2S — CID 2859342

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide
SMILESNC1=NC(=O)C(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)
InChIKeyDDIPBYADEICMPZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.65
Rot. Bonds4

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

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide (PubChem CID 2859342) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide
PubChem CID2859342
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide
SMILESNC1=NC(=O)C(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)
InChIKeyDDIPBYADEICMPZ-UHFFFAOYSA-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

2,5-dioxo-1-(2-phenylethyl)-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 4370839
3-(Acetylsulfanyl)-N-benzyl-2-methylpropanimidic acid
CID 2828749
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
(2Z)-3-ethyl-2-(ethylimino)-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 661614
2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 135439868
S-ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamothioate
CID 144562574
ST093069
CID 2729933
S-[3-(benzylamino)-1-methyl-3-oxopropyl] ethanethioate
CID 2828750
2-(benzylamino)-2-oxoethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
CID 660647
N-benzyl-2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3147895
5-Methyl-2-phenyl-1,3-thiazolidin-4-one
CID 2835856
1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one
CID 2841170

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide (CID 2859342) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide is NC1=NC(=O)C(CC(=O)NCc2ccccc2)S1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide?
The InChIKey is DDIPBYADEICMPZ-UHFFFAOYSA-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).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide?
2-(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-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-benzylacetamide is sourced from PubChem (CID 2859342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).