N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide

C18H12N4O3S — CID 3254217

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H12N4O3S/c23-17(14-3-1-2-4-16(14)22(24)25)19-13-7-5-12(6-8-13)15-11-21-9-10-26-18(21)20-15/h1-11H,(H,19,23)
InChIKeyHFOFABXEMUFVKX-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.22
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide (PubChem CID 3254217) has the molecular formula C18H12N4O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
PubChem CID3254217
Molecular FormulaC18H12N4O3S
Molecular Weight364.39 g/mol
Exact Mass364.06
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H12N4O3S/c23-17(14-3-1-2-4-16(14)22(24)25)19-13-7-5-12(6-8-13)15-11-21-9-10-26-18(21)20-15/h1-11H,(H,19,23)
InChIKeyHFOFABXEMUFVKX-UHFFFAOYSA-N
XLogP4.22
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.22
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'}

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Related Compounds

2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
N-[2-[(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46531645
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4877017
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039186
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide (CID 3254217) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide?
The InChIKey is HFOFABXEMUFVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S/c23-17(14-3-1-2-4-16(14)22(24)25)19-13-7-5-12(6-8-13)15-11-21-9-10-26-18(21)20-15/h1-11H,(H,19,23).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide has a molecular weight of 364.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 3254217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).