2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H15ClFN3OS — CID 7522319

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3OS/c21-15-5-3-14(4-6-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-1-7-16(22)8-2-13/h1-8,11-12H,9-10H2,(H,23,26)
InChIKeyFOXMBUJERARWTN-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.71
Rot. Bonds5

About 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7522319) has the molecular formula C20H15ClFN3OS and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7522319
Molecular FormulaC20H15ClFN3OS
Molecular Weight399.88 g/mol
Exact Mass399.06
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc(F)cc1
InChIInChI=1S/C20H15ClFN3OS/c21-15-5-3-14(4-6-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-1-7-16(22)8-2-13/h1-8,11-12H,9-10H2,(H,23,26)
InChIKeyFOXMBUJERARWTN-UHFFFAOYSA-N
XLogP4.71
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53036840
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
CID 121038538
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 146063378
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 121038232
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 7522319) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc(F)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FOXMBUJERARWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS/c21-15-5-3-14(4-6-15)18-11-25-17(12-27-20(25)24-18)9-19(26)23-10-13-1-7-16(22)8-2-13/h1-8,11-12H,9-10H2,(H,23,26).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7522319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).