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

C23H19F3N4O2S — CID 25120274

IUPACN-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine
SMILESCCc1ccc(Oc2ccc(Nc3nc(-c4cnc(OC)nc4)cs3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N4O2S/c1-3-14-4-7-17(8-5-14)32-20-9-6-16(10-18(20)23(24,25)26)29-22-30-19(13-33-22)15-11-27-21(31-2)28-12-15/h4-13H,3H2,1-2H3,(H,29,30)
InChIKeyUROBFHBZTYOWKO-UHFFFAOYSA-N
MW472.49 g/mol
LogP6.73
Rot. Bonds7

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

N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine (PubChem CID 25120274) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine
PubChem CID25120274
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC NameN-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine
SMILESCCc1ccc(Oc2ccc(Nc3nc(-c4cnc(OC)nc4)cs3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N4O2S/c1-3-14-4-7-17(8-5-14)32-20-9-6-16(10-18(20)23(24,25)26)29-22-30-19(13-33-22)15-11-27-21(31-2)28-12-15/h4-13H,3H2,1-2H3,(H,29,30)
InChIKeyUROBFHBZTYOWKO-UHFFFAOYSA-N
XLogP6.73
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine (CID 25120274) is N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine is CCc1ccc(Oc2ccc(Nc3nc(-c4cnc(OC)nc4)cs3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine?
The InChIKey is UROBFHBZTYOWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-3-14-4-7-17(8-5-14)32-20-9-6-16(10-18(20)23(24,25)26)29-22-30-19(13-33-22)15-11-27-21(31-2)28-12-15/h4-13H,3H2,1-2H3,(H,29,30).
What are the key properties of N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine?
N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine has a molecular weight of 472.49 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenoxy)-3-(trifluoromethyl)phenyl]-4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25120274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).