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

C14H13N3O5S — CID 733432

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C
InChIInChI=1S/C14H13N3O5S/c1-8-13(9(2)18)23-14(15-8)16-12(19)7-22-11-5-3-10(4-6-11)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,19)
InChIKeyZGZYIJMPLSJGGC-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.58
Rot. Bonds6

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 733432) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID733432
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C
InChIInChI=1S/C14H13N3O5S/c1-8-13(9(2)18)23-14(15-8)16-12(19)7-22-11-5-3-10(4-6-11)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,19)
InChIKeyZGZYIJMPLSJGGC-UHFFFAOYSA-N
XLogP2.58
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
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

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 857269
4-methyl-2-(2-phenoxyethylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 1986175
Ethanone, 1-[2-[(4-methoxyphenyl)amino]-4-methyl-5-thiazolyl]-
CID 746628
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 1465543
Ethyl 2-((4-methoxyphenyl)amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 8015374
AG-205/37049184
CID 692481
Ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1082191

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide (CID 733432) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide is CC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is ZGZYIJMPLSJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-8-13(9(2)18)23-14(15-8)16-12(19)7-22-11-5-3-10(4-6-11)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 335.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 733432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).