N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C21H15F4N3O2S — CID 29044639

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1cccc(-c2cn3c(CC(=O)Nc4ccc(F)c(C(F)(F)F)c4)csc3n2)c1
InChIInChI=1S/C21H15F4N3O2S/c1-30-15-4-2-3-12(7-15)18-10-28-14(11-31-20(28)27-18)9-19(29)26-13-5-6-17(22)16(8-13)21(23,24)25/h2-8,10-11H,9H2,1H3,(H,26,29)
InChIKeyCSEQPDYQLAALBE-UHFFFAOYSA-N
MW449.43 g/mol
LogP5.41
Rot. Bonds5

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 29044639) has the molecular formula C21H15F4N3O2S and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID29044639
Molecular FormulaC21H15F4N3O2S
Molecular Weight449.43 g/mol
Exact Mass449.08
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCOc1cccc(-c2cn3c(CC(=O)Nc4ccc(F)c(C(F)(F)F)c4)csc3n2)c1
InChIInChI=1S/C21H15F4N3O2S/c1-30-15-4-2-3-12(7-15)18-10-28-14(11-31-20(28)27-18)9-19(29)26-13-5-6-17(22)16(8-13)21(23,24)25/h2-8,10-11H,9H2,1H3,(H,26,29)
InChIKeyCSEQPDYQLAALBE-UHFFFAOYSA-N
XLogP5.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044670
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 29044651
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509577
2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53122639
N-(2-methoxy-5-methylphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509596
N-(3,4-dichlorophenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044229
N-(3,4-dimethoxyphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044188
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methoxyphenyl)propanamide
CID 30939846
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
N-(3-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide;hydrochloride
CID 146063293
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 146063351

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 29044639) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1cccc(-c2cn3c(CC(=O)Nc4ccc(F)c(C(F)(F)F)c4)csc3n2)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is CSEQPDYQLAALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2S/c1-30-15-4-2-3-12(7-15)18-10-28-14(11-31-20(28)27-18)9-19(29)26-13-5-6-17(22)16(8-13)21(23,24)25/h2-8,10-11H,9H2,1H3,(H,26,29).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 29044639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).