2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole

C11H8F3NOS — CID 176690928

IUPAC2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3NOS/c1-7-3-2-4-8(5-7)16-10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyMMVDUZMRFXHODK-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.26
Rot. Bonds2

About 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole

2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 176690928) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID176690928
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3NOS/c1-7-3-2-4-8(5-7)16-10-15-9(6-17-10)11(12,13)14/h2-6H,1H3
InChIKeyMMVDUZMRFXHODK-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 176690928) is 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole is Cc1cccc(Oc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MMVDUZMRFXHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-7-3-2-4-8(5-7)16-10-15-9(6-17-10)11(12,13)14/h2-6H,1H3.
What are the key properties of 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 259.25 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 176690928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).