6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C13H13FN4O2S2 — CID 53152086

IUPAC6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN4O2S2/c1-3-11-12(18-13(15-11)21-8(2)16-18)22(19,20)17-10-6-4-5-9(14)7-10/h4-7,17H,3H2,1-2H3
InChIKeyHXTGTTZDPSASBD-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.60
Rot. Bonds4

About 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152086) has the molecular formula C13H13FN4O2S2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152086
Molecular FormulaC13H13FN4O2S2
Molecular Weight340.41 g/mol
Exact Mass340.05
IUPAC Name6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN4O2S2/c1-3-11-12(18-13(15-11)21-8(2)16-18)22(19,20)17-10-6-4-5-9(14)7-10/h4-7,17H,3H2,1-2H3
InChIKeyHXTGTTZDPSASBD-UHFFFAOYSA-N
XLogP2.60
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152056
methyl 3-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152205
N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152201
N-(4-chlorophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152187
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162
N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152145
2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
methyl 4-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152182
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152177
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152086) is 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is HXTGTTZDPSASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S2/c1-3-11-12(18-13(15-11)21-8(2)16-18)22(19,20)17-10-6-4-5-9(14)7-10/h4-7,17H,3H2,1-2H3.
What are the key properties of 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).