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

C12H11N3O3S — CID 25131488

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3S/c1-7(16)13-10-4-3-9(5-12(10)15(17)18)11-6-19-8(2)14-11/h3-6H,1-2H3,(H,13,16)
InChIKeyHCROBKFJATXYCU-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.99
Rot. Bonds3

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

N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide (PubChem CID 25131488) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide
PubChem CID25131488
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O3S/c1-7(16)13-10-4-3-9(5-12(10)15(17)18)11-6-19-8(2)14-11/h3-6H,1-2H3,(H,13,16)
InChIKeyHCROBKFJATXYCU-UHFFFAOYSA-N
XLogP2.99
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179
2-Isopropyl-4-(4-nitrophenyl)thiazole
CID 882371
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 8534185
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-hydroxy-3-[2-[2-(4-nitrophenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148123770
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-[4-(2-Methyl-thiazol-4-yl)-phenyl]-propionamide
CID 737891
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 972919
N-(3-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2574351
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 2701305
N-(2-nitrophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4783834
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
CID 4814821

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide (CID 25131488) is N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide is CC(=O)Nc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide?
The InChIKey is HCROBKFJATXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7(16)13-10-4-3-9(5-12(10)15(17)18)11-6-19-8(2)14-11/h3-6H,1-2H3,(H,13,16).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide has a molecular weight of 277.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)-2-nitrophenyl]acetamide is sourced from PubChem (CID 25131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).