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

C21H16F3N3O2S — CID 29044651

IUPAC2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2cn3c(CC(=O)Nc4ccccc4C(F)(F)F)csc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-15-6-4-5-13(9-15)18-11-27-14(12-30-20(27)26-18)10-19(28)25-17-8-3-2-7-16(17)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyRDSDVEBRTPGEDC-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.27
Rot. Bonds5

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

2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 29044651) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID29044651
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2cn3c(CC(=O)Nc4ccccc4C(F)(F)F)csc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-15-6-4-5-13(9-15)18-11-27-14(12-30-20(27)26-18)10-19(28)25-17-8-3-2-7-16(17)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyRDSDVEBRTPGEDC-UHFFFAOYSA-N
XLogP5.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044639
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044670
N-(2-methoxy-5-methylphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509596
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,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
N-(5-acetamido-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147870
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18562261

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 29044651) is 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cccc(-c2cn3c(CC(=O)Nc4ccccc4C(F)(F)F)csc3n2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RDSDVEBRTPGEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-29-15-6-4-5-13(9-15)18-11-27-14(12-30-20(27)26-18)10-19(28)25-17-8-3-2-7-16(17)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28).
What are the key properties of 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 431.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 29044651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).