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

C20H14ClF2N3OS — CID 121038538

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1c(F)cccc1F
InChIInChI=1S/C20H14ClF2N3OS/c21-13-6-4-12(5-7-13)18-10-26-14(11-28-20(26)25-18)8-19(27)24-9-15-16(22)2-1-3-17(15)23/h1-7,10-11H,8-9H2,(H,24,27)
InChIKeyBRYOGQNIRXXYDC-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.85
Rot. Bonds5

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (PubChem CID 121038538) has the molecular formula C20H14ClF2N3OS and a molecular weight of 417.87 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
PubChem CID121038538
Molecular FormulaC20H14ClF2N3OS
Molecular Weight417.87 g/mol
Exact Mass417.05
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1c(F)cccc1F
InChIInChI=1S/C20H14ClF2N3OS/c21-13-6-4-12(5-7-13)18-10-26-14(11-28-20(26)25-18)8-19(27)24-9-15-16(22)2-1-3-17(15)23/h1-7,10-11H,8-9H2,(H,24,27)
InChIKeyBRYOGQNIRXXYDC-UHFFFAOYSA-N
XLogP4.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
2-[6-(3-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53036840
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
4-acetamido-N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]benzamide
CID 121038565
N-(4-acetamidophenyl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063269
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-pyridin-3-ylacetamide
CID 121038458
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
N-[2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121038566
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (CID 121038538) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide is O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1c(F)cccc1F.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The InChIKey is BRYOGQNIRXXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3OS/c21-13-6-4-12(5-7-13)18-10-26-14(11-28-20(26)25-18)8-19(27)24-9-15-16(22)2-1-3-17(15)23/h1-7,10-11H,8-9H2,(H,24,27).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2,6-difluorophenyl)methyl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 4.85, 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-[(2,6-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 121038538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).