N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide

C21H20FN3O2S2 — CID 90547654

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)c1
InChIInChI=1S/C21H20FN3O2S2/c1-13-4-9-20(14(2)10-13)29(26,27)23-11-19-15(3)25-12-18(24-21(25)28-19)16-5-7-17(22)8-6-16/h4-10,12,23H,11H2,1-3H3
InChIKeyCIDHEWVGVLWRJZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.61
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 90547654) has the molecular formula C21H20FN3O2S2 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID90547654
Molecular FormulaC21H20FN3O2S2
Molecular Weight429.54 g/mol
Exact Mass429.10
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)c1
InChIInChI=1S/C21H20FN3O2S2/c1-13-4-9-20(14(2)10-13)29(26,27)23-11-19-15(3)25-12-18(24-21(25)28-19)16-5-7-17(22)8-6-16/h4-10,12,23H,11H2,1-3H3
InChIKeyCIDHEWVGVLWRJZ-UHFFFAOYSA-N
XLogP4.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide (CID 90547654) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)c1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is CIDHEWVGVLWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S2/c1-13-4-9-20(14(2)10-13)29(26,27)23-11-19-15(3)25-12-18(24-21(25)28-19)16-5-7-17(22)8-6-16/h4-10,12,23H,11H2,1-3H3.
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 90547654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).