N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

C11H11N3O3S — CID 4302593

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1=NCCS1
InChIInChI=1S/C11H11N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-4H,5-7H2,(H,12,13,15)
InChIKeyRPAPLXVOPYUBPI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.36
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 4302593) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
PubChem CID4302593
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1=NCCS1
InChIInChI=1S/C11H11N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-4H,5-7H2,(H,12,13,15)
InChIKeyRPAPLXVOPYUBPI-UHFFFAOYSA-N
XLogP1.36
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.36
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-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-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-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474780
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
CID 112691354
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (CID 4302593) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is RPAPLXVOPYUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-4H,5-7H2,(H,12,13,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 265.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4302593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).