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

C17H12N4O2S — CID 37039109

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc[n+]([O-])cc1
InChIInChI=1S/C17H12N4O2S/c22-16(13-5-7-21(23)8-6-13)18-14-3-1-12(2-4-14)15-11-20-9-10-24-17(20)19-15/h1-11H,(H,18,22)
InChIKeyIMODCDYSOVNNLD-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.95
Rot. Bonds3

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 37039109) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID37039109
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc[n+]([O-])cc1
InChIInChI=1S/C17H12N4O2S/c22-16(13-5-7-21(23)8-6-13)18-14-3-1-12(2-4-14)15-11-20-9-10-24-17(20)19-15/h1-11H,(H,18,22)
InChIKeyIMODCDYSOVNNLD-UHFFFAOYSA-N
XLogP2.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
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)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33166945
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
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)-2-(methylamino)propanamide
CID 62639517
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 29441698
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 134030415
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
N-[1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3412238

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide (CID 37039109) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc[n+]([O-])cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is IMODCDYSOVNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-16(13-5-7-21(23)8-6-13)18-14-3-1-12(2-4-14)15-11-20-9-10-24-17(20)19-15/h1-11H,(H,18,22).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 37039109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).