4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine

C18H12F3N5S — CID 69180922

IUPAC4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
SMILESNc1nccc(C=Cc2c(-c3cccc(C(F)(F)F)c3)nc3sccn23)n1
InChIInChI=1S/C18H12F3N5S/c19-18(20,21)12-3-1-2-11(10-12)15-14(26-8-9-27-17(26)25-15)5-4-13-6-7-23-16(22)24-13/h1-10H,(H2,22,23,24)
InChIKeyINKHRJGUKLYOTL-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.62
Rot. Bonds3

About 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine

4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine (PubChem CID 69180922) has the molecular formula C18H12F3N5S and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
PubChem CID69180922
Molecular FormulaC18H12F3N5S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC Name4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
SMILESNc1nccc(C=Cc2c(-c3cccc(C(F)(F)F)c3)nc3sccn23)n1
InChIInChI=1S/C18H12F3N5S/c19-18(20,21)12-3-1-2-11(10-12)15-14(26-8-9-27-17(26)25-15)5-4-13-6-7-23-16(22)24-13/h1-10H,(H2,22,23,24)
InChIKeyINKHRJGUKLYOTL-UHFFFAOYSA-N
XLogP4.62
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
N-[4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-yl]acetamide
CID 44586769
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate
CID 1473288
dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823572
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
1-[3-[7-(2-aminopyrimidin-4-yl)pyrazolo[5,1-b][1,3]thiazol-6-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46701116
6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
CID 69179976
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
(E)-1-(1-benzofuran-2-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516245
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine (CID 69180922) is 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine is Nc1nccc(C=Cc2c(-c3cccc(C(F)(F)F)c3)nc3sccn23)n1.
What is the InChIKey of 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The InChIKey is INKHRJGUKLYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5S/c19-18(20,21)12-3-1-2-11(10-12)15-14(26-8-9-27-17(26)25-15)5-4-13-6-7-23-16(22)24-13/h1-10H,(H2,22,23,24).
What are the key properties of 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine has a molecular weight of 387.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 69180922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).