4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole

C16H11F3N2OS — CID 18921392

IUPAC4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C16H11F3N2OS/c1-10-9-23-15(20-10)13-6-3-7-14(21-13)22-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3
InChIKeyJFXPHZFJCZRWSS-UHFFFAOYSA-N
MW336.34 g/mol
LogP5.32
Rot. Bonds3

About 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole

4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole (PubChem CID 18921392) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
PubChem CID18921392
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C16H11F3N2OS/c1-10-9-23-15(20-10)13-6-3-7-14(21-13)22-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3
InChIKeyJFXPHZFJCZRWSS-UHFFFAOYSA-N
XLogP5.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole (CID 18921392) is 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole is Cc1csc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole?
The InChIKey is JFXPHZFJCZRWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-10-9-23-15(20-10)13-6-3-7-14(21-13)22-12-5-2-4-11(8-12)16(17,18)19/h2-9H,1H3.
What are the key properties of 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole?
4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole has a molecular weight of 336.34 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 18921392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).