N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide

C12H11BrN4O3S — CID 62180552

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2ncc(Br)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11BrN4O3S/c1-2-14-8-4-3-7(5-9(8)17(19)20)11(18)16-12-15-6-10(13)21-12/h3-6,14H,2H2,1H3,(H,15,16,18)
InChIKeyFWMCYNXKFGRLSH-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.50
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide

N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide (PubChem CID 62180552) has the molecular formula C12H11BrN4O3S and a molecular weight of 371.22 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide
PubChem CID62180552
Molecular FormulaC12H11BrN4O3S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)Nc2ncc(Br)s2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11BrN4O3S/c1-2-14-8-4-3-7(5-9(8)17(19)20)11(18)16-12-15-6-10(13)21-12/h3-6,14H,2H2,1H3,(H,15,16,18)
InChIKeyFWMCYNXKFGRLSH-UHFFFAOYSA-N
XLogP3.50
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
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 N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-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

Related Compounds

4-(ethylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623814
4-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 26362764
4-(ethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115666689
4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
CID 115673070
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-(ethylamino)-3-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579379
4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 26087424
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62179840
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
CID 115599746
N-(1-adamantyl)-4-(ethylamino)-3-nitrobenzamide
CID 26910705
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide (CID 62180552) is N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide is CCNc1ccc(C(=O)Nc2ncc(Br)s2)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide?
The InChIKey is FWMCYNXKFGRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3S/c1-2-14-8-4-3-7(5-9(8)17(19)20)11(18)16-12-15-6-10(13)21-12/h3-6,14H,2H2,1H3,(H,15,16,18).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide has a molecular weight of 371.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-(ethylamino)-3-nitrobenzamide is sourced from PubChem (CID 62180552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).