4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide

C14H11N5O3S — CID 51146735

IUPAC4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N5O3S/c1-17-6-7-23-14(17)16-13(20)10-2-3-11(12(8-10)19(21)22)18-5-4-15-9-18/h2-9H,1H3/b16-14-
InChIKeyWEUKPUWUBRUSQG-PEZBUJJGSA-N
MW329.34 g/mol
LogP1.92
Rot. Bonds3

About 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide

4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide (PubChem CID 51146735) has the molecular formula C14H11N5O3S and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide
PubChem CID51146735
Molecular FormulaC14H11N5O3S
Molecular Weight329.34 g/mol
Exact Mass329.06
IUPAC Name4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11N5O3S/c1-17-6-7-23-14(17)16-13(20)10-2-3-11(12(8-10)19(21)22)18-5-4-15-9-18/h2-9H,1H3/b16-14-
InChIKeyWEUKPUWUBRUSQG-PEZBUJJGSA-N
XLogP1.92
TPSA95.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
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'}

Analyze 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide 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 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide?
The IUPAC name of 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide (CID 51146735) is 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide is Cn1ccs/c1=N\C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide?
The InChIKey is WEUKPUWUBRUSQG-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11N5O3S/c1-17-6-7-23-14(17)16-13(20)10-2-3-11(12(8-10)19(21)22)18-5-4-15-9-18/h2-9H,1H3/b16-14-.
What are the key properties of 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide?
4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide has a molecular weight of 329.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(3-methyl-1,3-thiazol-2-ylidene)-3-nitrobenzamide is sourced from PubChem (CID 51146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).