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

C19H17N3O3S2 — CID 90518300

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C19H17N3O3S2/c23-27(24,12-10-25-17-7-2-1-3-8-17)21-16-6-4-5-15(13-16)18-14-22-9-11-26-19(22)20-18/h1-9,11,13-14,21H,10,12H2
InChIKeyJOPGCVIMTCJPOA-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.88
Rot. Bonds7

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide (PubChem CID 90518300) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
PubChem CID90518300
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C19H17N3O3S2/c23-27(24,12-10-25-17-7-2-1-3-8-17)21-16-6-4-5-15(13-16)18-14-22-9-11-26-19(22)20-18/h1-9,11,13-14,21H,10,12H2
InChIKeyJOPGCVIMTCJPOA-UHFFFAOYSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
CID 7488202
3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 983326
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 40506163
5-ethyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)thiophene-2-sulfonamide
CID 7151305
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
CID 7488179
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
CID 83084144
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-indol-1-ylacetamide
CID 45497443
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide (CID 90518300) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide?
The InChIKey is JOPGCVIMTCJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-27(24,12-10-25-17-7-2-1-3-8-17)21-16-6-4-5-15(13-16)18-14-22-9-11-26-19(22)20-18/h1-9,11,13-14,21H,10,12H2.
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).