2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

C12H11N3O4S — CID 733305

IUPAC2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C12H11N3O4S/c1-19-6-11(16)14-12-13-10(7-20-12)8-2-4-9(5-3-8)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyLDTGCYGZKXQZTL-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.30
Rot. Bonds5

About 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 733305) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID733305
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C12H11N3O4S/c1-19-6-11(16)14-12-13-10(7-20-12)8-2-4-9(5-3-8)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyLDTGCYGZKXQZTL-UHFFFAOYSA-N
XLogP2.30
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 733305) is 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is COCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LDTGCYGZKXQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-19-6-11(16)14-12-13-10(7-20-12)8-2-4-9(5-3-8)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16).
What are the key properties of 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 733305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).