6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C16H13FN4O3S2 — CID 70891832

IUPAC6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)C1=NN2CC(c3ccc(Oc4ccc(F)cc4)cc3)N=C2S1
InChIInChI=1S/C16H13FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-8,14H,9H2,(H2,18,22,23)
InChIKeyDZXDAGRUFSTRHV-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.64
Rot. Bonds3

About 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 70891832) has the molecular formula C16H13FN4O3S2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID70891832
Molecular FormulaC16H13FN4O3S2
Molecular Weight392.44 g/mol
Exact Mass392.04
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)C1=NN2CC(c3ccc(Oc4ccc(F)cc4)cc3)N=C2S1
InChIInChI=1S/C16H13FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-8,14H,9H2,(H2,18,22,23)
InChIKeyDZXDAGRUFSTRHV-UHFFFAOYSA-N
XLogP2.64
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 70860962
6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 70860972
6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10287373
[4-(4-fluorophenoxy)phenyl]-phenyliodanium
CID 162496484
4-(4-fluorophenoxy)benzamide
CID 22142233
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
3-[[4-(4-fluorophenoxy)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 24967350
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonylpiperazine-2-carboxamide
CID 140991391
[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl] 4-fluorobenzenesulfonate
CID 166985609
N-[4-(4-chlorophenoxy)phenyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 21294628

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 70891832) is 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is NS(=O)(=O)C1=NN2CC(c3ccc(Oc4ccc(F)cc4)cc3)N=C2S1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is DZXDAGRUFSTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S2/c17-11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)14-9-21-15(19-14)25-16(20-21)26(18,22)23/h1-8,14H,9H2,(H2,18,22,23).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 70891832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).