N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide

C23H19N3O3S2 — CID 41427625

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S2/c27-31(28,21-12-10-20(11-13-21)29-19-4-2-1-3-5-19)25-18-8-6-17(7-9-18)22-16-26-14-15-30-23(26)24-22/h1-13,16,25H,14-15H2
InChIKeyULVLEQDLINDTRY-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.25
Rot. Bonds6

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide (PubChem CID 41427625) has the molecular formula C23H19N3O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide
PubChem CID41427625
Molecular FormulaC23H19N3O3S2
Molecular Weight449.56 g/mol
Exact Mass449.09
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3S2/c27-31(28,21-12-10-20(11-13-21)29-19-4-2-1-3-5-19)25-18-8-6-17(7-9-18)22-16-26-14-15-30-23(26)24-22/h1-13,16,25H,14-15H2
InChIKeyULVLEQDLINDTRY-UHFFFAOYSA-N
XLogP5.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7488338
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427635
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 121107548
N-[4-[[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 121149436
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-sulfonamide
CID 7151318
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 158709331
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide (CID 41427625) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
The InChIKey is ULVLEQDLINDTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S2/c27-31(28,21-12-10-20(11-13-21)29-19-4-2-1-3-5-19)25-18-8-6-17(7-9-18)22-16-26-14-15-30-23(26)24-22/h1-13,16,25H,14-15H2.
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide has a molecular weight of 449.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 41427625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).