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

C18H12F3N5S — CID 69180921

IUPAC4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2c(-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)/b5-4+
InChIKeyINKHRJGUKLYOTL-SNAWJCMRSA-N
MW387.39 g/mol
LogP4.62
Rot. Bonds3

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

4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine (PubChem CID 69180921) has the molecular formula C18H12F3N5S and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
PubChem CID69180921
Molecular FormulaC18H12F3N5S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC Name4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2c(-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)/b5-4+
InChIKeyINKHRJGUKLYOTL-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine (CID 69180921) is 4-[(E)-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-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine is Nc1nccc(/C=C/c2c(-c3cccc(C(F)(F)F)c3)nc3sccn23)n1.
What is the InChIKey of 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
The InChIKey is INKHRJGUKLYOTL-SNAWJCMRSA-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)/b5-4+.
What are the key properties of 4-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine?
4-[(E)-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-[(E)-2-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 69180921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).