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

C16H20N4O2S2 — CID 53152157

IUPACN-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C(C)C)nc2sc(C)nn12
InChIInChI=1S/C16H20N4O2S2/c1-5-12-8-6-7-9-13(12)19-24(21,22)15-14(10(2)3)17-16-20(15)18-11(4)23-16/h6-10,19H,5H2,1-4H3
InChIKeyBBHNLPDWEDBHGL-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.59
Rot. Bonds5

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

N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152157) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152157
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C(C)C)nc2sc(C)nn12
InChIInChI=1S/C16H20N4O2S2/c1-5-12-8-6-7-9-13(12)19-24(21,22)15-14(10(2)3)17-16-20(15)18-11(4)23-16/h6-10,19H,5H2,1-4H3
InChIKeyBBHNLPDWEDBHGL-UHFFFAOYSA-N
XLogP3.59
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
N-(2-fluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151692
6-ethyl-2-methyl-N-(3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152056
6-ethyl-N-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152086
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853
2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646622
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-(4-chlorophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152187
5-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethylphenyl)-2-methylthiophene-3-sulfonamide
CID 50835162

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152157) is N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1ccccc1NS(=O)(=O)c1c(C(C)C)nc2sc(C)nn12.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is BBHNLPDWEDBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-5-12-8-6-7-9-13(12)19-24(21,22)15-14(10(2)3)17-16-20(15)18-11(4)23-16/h6-10,19H,5H2,1-4H3.
What are the key properties of N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 364.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).