3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol

C20H18F3NO2S — CID 141167700

IUPAC3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol
SMILESCCC(Oc1cccc(O)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C20H18F3NO2S/c1-3-17(26-16-6-4-5-15(25)11-16)18-12(2)24-19(27-18)13-7-9-14(10-8-13)20(21,22)23/h4-11,17,25H,3H2,1-2H3
InChIKeyYEUILWXQFNCSJC-UHFFFAOYSA-N
MW393.43 g/mol
LogP6.37
Rot. Bonds5

About 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol

3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol (PubChem CID 141167700) has the molecular formula C20H18F3NO2S and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol.

Molecular Properties

Compound Name3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol
PubChem CID141167700
Molecular FormulaC20H18F3NO2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC Name3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol
SMILESCCC(Oc1cccc(O)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C20H18F3NO2S/c1-3-17(26-16-6-4-5-15(25)11-16)18-12(2)24-19(27-18)13-7-9-14(10-8-13)20(21,22)23/h4-11,17,25H,3H2,1-2H3
InChIKeyYEUILWXQFNCSJC-UHFFFAOYSA-N
XLogP6.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol?
The IUPAC name of 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol (CID 141167700) is 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol.
What is the SMILES notation for 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol?
The canonical SMILES for 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol is CCC(Oc1cccc(O)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol?
The InChIKey is YEUILWXQFNCSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2S/c1-3-17(26-16-6-4-5-15(25)11-16)18-12(2)24-19(27-18)13-7-9-14(10-8-13)20(21,22)23/h4-11,17,25H,3H2,1-2H3.
What are the key properties of 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol?
3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol has a molecular weight of 393.43 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenol is sourced from PubChem (CID 141167700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).