N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C24H20FN3O3S2 — CID 5166878

IUPACN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C24H20FN3O3S2/c25-19-10-8-18(9-11-19)23-16-28-20(17-32-24(28)26-23)12-13-27(15-21-5-4-14-31-21)33(29,30)22-6-2-1-3-7-22/h1-11,14,16-17H,12-13,15H2
InChIKeyUPLYREOSGDHMBL-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.23
Rot. Bonds8

About N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 5166878) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID5166878
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C24H20FN3O3S2/c25-19-10-8-18(9-11-19)23-16-28-20(17-32-24(28)26-23)12-13-27(15-21-5-4-14-31-21)33(29,30)22-6-2-1-3-7-22/h1-11,14,16-17H,12-13,15H2
InChIKeyUPLYREOSGDHMBL-UHFFFAOYSA-N
XLogP5.23
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide
CID 5049112
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421
N-(furan-2-ylmethyl)-2,4,6-trimethyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzenesulfonamide
CID 3451757
N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5075068
4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 4220581
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 42793057
N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5051801
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42793061
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 42793074
3-butyl-1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
CID 4198842
3-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
CID 5187027
1-(furan-2-ylmethyl)-3-(4-methylphenyl)-1-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]urea
CID 42788883

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 5166878) is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UPLYREOSGDHMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c25-19-10-8-18(9-11-19)23-16-28-20(17-32-24(28)26-23)12-13-27(15-21-5-4-14-31-21)33(29,30)22-6-2-1-3-7-22/h1-11,14,16-17H,12-13,15H2.
What are the key properties of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 5166878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).