N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C16H17N5O2S2 — CID 53152201

IUPACN-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H17N5O2S2/c1-4-13-15(21-16(18-13)24-14(19-21)10(2)3)25(22,23)20-12-7-5-6-11(8-12)9-17/h5-8,10,20H,4H2,1-3H3
InChIKeyUWUXUNGKIXTXER-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.15
Rot. Bonds5

About N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152201) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152201
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC NameN-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H17N5O2S2/c1-4-13-15(21-16(18-13)24-14(19-21)10(2)3)25(22,23)20-12-7-5-6-11(8-12)9-17/h5-8,10,20H,4H2,1-3H3
InChIKeyUWUXUNGKIXTXER-UHFFFAOYSA-N
XLogP3.15
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152205
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152177
methyl 3-[[2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]sulfonylamino]benzoate
CID 53152235
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
N-(3-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695849
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152201) is N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is UWUXUNGKIXTXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-4-13-15(21-16(18-13)24-14(19-21)10(2)3)25(22,23)20-12-7-5-6-11(8-12)9-17/h5-8,10,20H,4H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).