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

C23H17N3O3S2 — CID 90626747

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17N3O3S2/c27-31(28,19-12-10-18(11-13-19)29-17-6-2-1-3-7-17)25-21-9-5-4-8-20(21)22-16-26-14-15-30-23(26)24-22/h1-16,25H
InChIKeyAMJJQCUYYSRZLR-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.66
Rot. Bonds6

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

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide (PubChem CID 90626747) has the molecular formula C23H17N3O3S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide
PubChem CID90626747
Molecular FormulaC23H17N3O3S2
Molecular Weight447.54 g/mol
Exact Mass447.07
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17N3O3S2/c27-31(28,19-12-10-18(11-13-19)29-17-6-2-1-3-7-17)25-21-9-5-4-8-20(21)22-16-26-14-15-30-23(26)24-22/h1-16,25H
InChIKeyAMJJQCUYYSRZLR-UHFFFAOYSA-N
XLogP5.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
CID 121149649
2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 90626756
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
CID 90626777
2-(4-chlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625722
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 41427613
N-(4-phenoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862652
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121149786
methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
CID 121149702
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide (CID 90626747) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide?
The InChIKey is AMJJQCUYYSRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S2/c27-31(28,19-12-10-18(11-13-19)29-17-6-2-1-3-7-17)25-21-9-5-4-8-20(21)22-16-26-14-15-30-23(26)24-22/h1-16,25H.
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide has a molecular weight of 447.54 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 90626747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).