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

C16H20N4O2S2 — CID 53152039

IUPACN-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sc(C(C)C)nn23)cc1C
InChIInChI=1S/C16H20N4O2S2/c1-9(2)14-18-20-15(12(5)17-16(20)23-14)24(21,22)19-13-7-6-10(3)11(4)8-13/h6-9,19H,1-5H3
InChIKeyDLFXFTAWMVZUSU-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.64
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152039) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152039
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sc(C(C)C)nn23)cc1C
InChIInChI=1S/C16H20N4O2S2/c1-9(2)14-18-20-15(12(5)17-16(20)23-14)24(21,22)19-13-7-6-10(3)11(4)8-13/h6-9,19H,1-5H3
InChIKeyDLFXFTAWMVZUSU-UHFFFAOYSA-N
XLogP3.64
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
N-(4-chlorophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152187
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151706
methyl 3-[[2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]sulfonylamino]benzoate
CID 53152235
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152177
methyl 4-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152182
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-(3-chloro-4-methoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151960
2-ethyl-6-methyl-N-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151991
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152039) is N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nc3sc(C(C)C)nn23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is DLFXFTAWMVZUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-9(2)14-18-20-15(12(5)17-16(20)23-14)24(21,22)19-13-7-6-10(3)11(4)8-13/h6-9,19H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 364.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).