N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C13H13FN4O2S2 — CID 53151853

IUPACN-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sc(C)nn23)c(F)c1
InChIInChI=1S/C13H13FN4O2S2/c1-7-4-5-11(10(14)6-7)17-22(19,20)12-8(2)15-13-18(12)16-9(3)21-13/h4-6,17H,1-3H3
InChIKeyBKPCLKGJNGIGJK-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.66
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151853) has the molecular formula C13H13FN4O2S2 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151853
Molecular FormulaC13H13FN4O2S2
Molecular Weight340.41 g/mol
Exact Mass340.05
IUPAC NameN-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nc3sc(C)nn23)c(F)c1
InChIInChI=1S/C13H13FN4O2S2/c1-7-4-5-11(10(14)6-7)17-22(19,20)12-8(2)15-13-18(12)16-9(3)21-13/h4-6,17H,1-3H3
InChIKeyBKPCLKGJNGIGJK-UHFFFAOYSA-N
XLogP2.66
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152145
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195
N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151867
2-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151957
N-[(4-bromophenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151899
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151772
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
N-(2-ethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152157
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151853) is N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nc3sc(C)nn23)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is BKPCLKGJNGIGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S2/c1-7-4-5-11(10(14)6-7)17-22(19,20)12-8(2)15-13-18(12)16-9(3)21-13/h4-6,17H,1-3H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).