6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C14H16N4O2S2 — CID 53152056

IUPAC6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H16N4O2S2/c1-4-12-13(18-14(15-12)21-10(3)16-18)22(19,20)17-11-7-5-6-9(2)8-11/h5-8,17H,4H2,1-3H3
InChIKeyVYJIJXLNDVXBCY-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.77
Rot. Bonds4

About 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152056) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152056
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H16N4O2S2/c1-4-12-13(18-14(15-12)21-10(3)16-18)22(19,20)17-11-7-5-6-9(2)8-11/h5-8,17H,4H2,1-3H3
InChIKeyVYJIJXLNDVXBCY-UHFFFAOYSA-N
XLogP2.77
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152086
N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152201
methyl 3-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152205
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
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-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853
N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152157
2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151991

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152056) is 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nc2sc(C)nn2c1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is VYJIJXLNDVXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-4-12-13(18-14(15-12)21-10(3)16-18)22(19,20)17-11-7-5-6-9(2)8-11/h5-8,17H,4H2,1-3H3.
What are the key properties of 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).