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

C15H18N4O2S2 — CID 53151867

IUPACN-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NCc3ccc(C)c(C)c3)c(C)nc2s1
InChIInChI=1S/C15H18N4O2S2/c1-9-5-6-13(7-10(9)2)8-16-23(20,21)14-11(3)17-15-19(14)18-12(4)22-15/h5-7,16H,8H2,1-4H3
InChIKeyGOGHWEVOYHFDTF-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.50
Rot. Bonds4

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

N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151867) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151867
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NCc3ccc(C)c(C)c3)c(C)nc2s1
InChIInChI=1S/C15H18N4O2S2/c1-9-5-6-13(7-10(9)2)8-16-23(20,21)14-11(3)17-15-19(14)18-12(4)22-15/h5-7,16H,8H2,1-4H3
InChIKeyGOGHWEVOYHFDTF-UHFFFAOYSA-N
XLogP2.50
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
N-[(4-bromophenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151899
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151894
N-[(3,5-difluorophenyl)methyl]-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151972
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-propylbenzenesulfonamide
CID 53163253
N-(2-fluoro-4-methylphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151853
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152039
2-ethyl-N-(furan-2-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151925
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151772
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151867) is N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1nn2c(S(=O)(=O)NCc3ccc(C)c(C)c3)c(C)nc2s1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is GOGHWEVOYHFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-9-5-6-13(7-10(9)2)8-16-23(20,21)14-11(3)17-15-19(14)18-12(4)22-15/h5-7,16H,8H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 2.50, 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)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).