2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide

C13H14N4O5S — CID 7157816

IUPAC2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2SC(N)=NC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O5S/c1-2-22-7-3-4-8(9(5-7)17(20)21)15-11(18)6-10-12(19)16-13(14)23-10/h3-5,10H,2,6H2,1H3,(H,15,18)(H2,14,16,19)/t10-/m1/s1
InChIKeyKELIIELPNCZLGM-SNVBAGLBSA-N
MW338.35 g/mol
LogP1.28
Rot. Bonds6

About 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide

2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide (PubChem CID 7157816) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide
PubChem CID7157816
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2SC(N)=NC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O5S/c1-2-22-7-3-4-8(9(5-7)17(20)21)15-11(18)6-10-12(19)16-13(14)23-10/h3-5,10H,2,6H2,1H3,(H,15,18)(H2,14,16,19)/t10-/m1/s1
InChIKeyKELIIELPNCZLGM-SNVBAGLBSA-N
XLogP1.28
TPSA136.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987571
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(2-nitrophenyl)acetamide
CID 7454627
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 7112179
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 17438036
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 33479245

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide (CID 7157816) is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide is CCOc1ccc(NC(=O)C[C@H]2SC(N)=NC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is KELIIELPNCZLGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-2-22-7-3-4-8(9(5-7)17(20)21)15-11(18)6-10-12(19)16-13(14)23-10/h3-5,10H,2,6H2,1H3,(H,15,18)(H2,14,16,19)/t10-/m1/s1.
What are the key properties of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide?
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 338.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 7157816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).