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

C16H10F3NS — CID 46911999

IUPAC2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)13-8-6-11(7-9-13)14-10-21-15(20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyLSMAABODKIIJEU-UHFFFAOYSA-N
MW305.32 g/mol
LogP5.50
Rot. Bonds2

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

2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 46911999) has the molecular formula C16H10F3NS and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID46911999
Molecular FormulaC16H10F3NS
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H10F3NS/c17-16(18,19)13-8-6-11(7-9-13)14-10-21-15(20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyLSMAABODKIIJEU-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.32
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 46911999) is 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is LSMAABODKIIJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NS/c17-16(18,19)13-8-6-11(7-9-13)14-10-21-15(20-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 305.32 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 46911999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).