2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H7BrF3N3O2S — CID 118113884

IUPAC2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cn2cc(Br)sc2n1
InChIInChI=1S/C13H7BrF3N3O2S/c14-10-6-20-5-9(19-12(20)23-10)11(21)18-7-2-1-3-8(4-7)22-13(15,16)17/h1-6H,(H,18,21)
InChIKeyTVZCNXCYBGZTRJ-UHFFFAOYSA-N
MW406.18 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 118113884) has the molecular formula C13H7BrF3N3O2S and a molecular weight of 406.18 g/mol. Its IUPAC name is 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID118113884
Molecular FormulaC13H7BrF3N3O2S
Molecular Weight406.18 g/mol
Exact Mass404.94
IUPAC Name2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cn2cc(Br)sc2n1
InChIInChI=1S/C13H7BrF3N3O2S/c14-10-6-20-5-9(19-12(20)23-10)11(21)18-7-2-1-3-8(4-7)22-13(15,16)17/h1-6H,(H,18,21)
InChIKeyTVZCNXCYBGZTRJ-UHFFFAOYSA-N
XLogP4.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
5-(methylamino)-N-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618388
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
5-bromo-2-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034888
6,8-dichloro-N-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56689841
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 118113884) is 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cn2cc(Br)sc2n1.
What is the InChIKey of 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is TVZCNXCYBGZTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O2S/c14-10-6-20-5-9(19-12(20)23-10)11(21)18-7-2-1-3-8(4-7)22-13(15,16)17/h1-6H,(H,18,21).
What are the key properties of 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 406.18 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 118113884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).