4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C21H15F3N4O2S — CID 25119926

IUPAC4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2csc(Nc3ccc(Oc4ccccc4)c(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C21H15F3N4O2S/c1-29-19-25-10-13(11-26-19)17-12-31-20(28-17)27-14-7-8-18(16(9-14)21(22,23)24)30-15-5-3-2-4-6-15/h2-12H,1H3,(H,27,28)
InChIKeyMZPLSUCKPBKJSZ-UHFFFAOYSA-N
MW444.44 g/mol
LogP6.16
Rot. Bonds6

About 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 25119926) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID25119926
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ncc(-c2csc(Nc3ccc(Oc4ccccc4)c(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C21H15F3N4O2S/c1-29-19-25-10-13(11-26-19)17-12-31-20(28-17)27-14-7-8-18(16(9-14)21(22,23)24)30-15-5-3-2-4-6-15/h2-12H,1H3,(H,27,28)
InChIKeyMZPLSUCKPBKJSZ-UHFFFAOYSA-N
XLogP6.16
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 25119926) is 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is COc1ncc(-c2csc(Nc3ccc(Oc4ccccc4)c(C(F)(F)F)c3)n2)cn1.
What is the InChIKey of 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is MZPLSUCKPBKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c1-29-19-25-10-13(11-26-19)17-12-31-20(28-17)27-14-7-8-18(16(9-14)21(22,23)24)30-15-5-3-2-4-6-15/h2-12H,1H3,(H,27,28).
What are the key properties of 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 444.44 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyrimidin-5-yl)-N-[4-phenoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25119926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).