2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole

C16H9ClF3NOS — CID 141179286

IUPAC2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccc(Oc3ccccc3Cl)c2)n1
InChIInChI=1S/C16H9ClF3NOS/c17-12-6-1-2-7-13(12)22-11-5-3-4-10(8-11)15-21-14(9-23-15)16(18,19)20/h1-9H
InChIKeyAWPNZPXYLIDOKB-UHFFFAOYSA-N
MW355.77 g/mol
LogP6.27
Rot. Bonds3

About 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole

2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 141179286) has the molecular formula C16H9ClF3NOS and a molecular weight of 355.77 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID141179286
Molecular FormulaC16H9ClF3NOS
Molecular Weight355.77 g/mol
Exact Mass355.00
IUPAC Name2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(-c2cccc(Oc3ccccc3Cl)c2)n1
InChIInChI=1S/C16H9ClF3NOS/c17-12-6-1-2-7-13(12)22-11-5-3-4-10(8-11)15-21-14(9-23-15)16(18,19)20/h1-9H
InChIKeyAWPNZPXYLIDOKB-UHFFFAOYSA-N
XLogP6.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.77
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole (CID 141179286) is 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(-c2cccc(Oc3ccccc3Cl)c2)n1.
What is the InChIKey of 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AWPNZPXYLIDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NOS/c17-12-6-1-2-7-13(12)22-11-5-3-4-10(8-11)15-21-14(9-23-15)16(18,19)20/h1-9H.
What are the key properties of 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 355.77 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 141179286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).