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

C17H21N3O2S2 — CID 53151706

IUPACN-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C(C)C)nc2s1
InChIInChI=1S/C17H21N3O2S2/c1-10(2)15-16(20-9-13(5)23-17(20)18-15)24(21,22)19-14-7-6-11(3)12(4)8-14/h6-10,19H,1-5H3
InChIKeyZHJLXXOEZYCWDB-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.25
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 53151706) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID53151706
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C(C)C)nc2s1
InChIInChI=1S/C17H21N3O2S2/c1-10(2)15-16(20-9-13(5)23-17(20)18-15)24(21,22)19-14-7-6-11(3)12(4)8-14/h6-10,19H,1-5H3
InChIKeyZHJLXXOEZYCWDB-UHFFFAOYSA-N
XLogP4.25
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151703
N-(4-acetylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151679
N-(2-fluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151692
N-(3,4-dimethylphenyl)-6-methyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152039
N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151749
2-methyl-N-phenyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152162
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
CID 53151698
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
methyl 3-[[2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]sulfonylamino]benzoate
CID 53152235
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 53151706) is N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cn2c(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C(C)C)nc2s1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is ZHJLXXOEZYCWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-10(2)15-16(20-9-13(5)23-17(20)18-15)24(21,22)19-14-7-6-11(3)12(4)8-14/h6-10,19H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 363.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 53151706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).