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

C18H14FN3O3S2 — CID 7488179

IUPAC2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c(F)c1
InChIInChI=1S/C18H14FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-11,21H,1H3
InChIKeyIUPCZMYOIITIOK-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.01
Rot. Bonds5

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

2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 7488179) has the molecular formula C18H14FN3O3S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
PubChem CID7488179
Molecular FormulaC18H14FN3O3S2
Molecular Weight403.46 g/mol
Exact Mass403.05
IUPAC Name2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c(F)c1
InChIInChI=1S/C18H14FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-11,21H,1H3
InChIKeyIUPCZMYOIITIOK-UHFFFAOYSA-N
XLogP4.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7488298
5-ethyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)thiophene-2-sulfonamide
CID 7151305
6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
CID 7488202
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 983326
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
CID 90518300
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873809
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 40696843

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide (CID 7488179) is 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is IUPCZMYOIITIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S2/c1-25-14-5-6-17(15(19)10-14)27(23,24)21-13-4-2-3-12(9-13)16-11-22-7-8-26-18(22)20-16/h2-11,21H,1H3.
What are the key properties of 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide?
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7488179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).