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

C18H12IN3OS — CID 983313

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(I)cc1
InChIInChI=1S/C18H12IN3OS/c19-14-6-4-12(5-7-14)17(23)20-15-3-1-2-13(10-15)16-11-22-8-9-24-18(22)21-16/h1-11H,(H,20,23)
InChIKeyDISSUDQTJRPIAB-UHFFFAOYSA-N
MW445.29 g/mol
LogP4.92
Rot. Bonds3

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide (PubChem CID 983313) has the molecular formula C18H12IN3OS and a molecular weight of 445.29 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
PubChem CID983313
Molecular FormulaC18H12IN3OS
Molecular Weight445.29 g/mol
Exact Mass444.97
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(I)cc1
InChIInChI=1S/C18H12IN3OS/c19-14-6-4-12(5-7-14)17(23)20-15-3-1-2-13(10-15)16-11-22-8-9-24-18(22)21-16/h1-11H,(H,20,23)
InChIKeyDISSUDQTJRPIAB-UHFFFAOYSA-N
XLogP4.92
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147397
3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 30535436
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-methoxybenzamide
CID 3651637
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-indol-1-ylacetamide
CID 45497443

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide (CID 983313) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide is O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(I)cc1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide?
The InChIKey is DISSUDQTJRPIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12IN3OS/c19-14-6-4-12(5-7-14)17(23)20-15-3-1-2-13(10-15)16-11-22-8-9-24-18(22)21-16/h1-11H,(H,20,23).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide has a molecular weight of 445.29 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide is sourced from PubChem (CID 983313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).