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

C17H9F6NS — CID 2742410

IUPAC2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H9F6NS/c18-16(19,20)12-5-1-10(2-6-12)14-9-25-15(24-14)11-3-7-13(8-4-11)17(21,22)23/h1-9H
InChIKeyGULBZCGYUCDYAM-UHFFFAOYSA-N
MW373.32 g/mol
LogP6.51
Rot. Bonds2

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

2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 2742410) has the molecular formula C17H9F6NS and a molecular weight of 373.32 g/mol. Its IUPAC name is 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID2742410
Molecular FormulaC17H9F6NS
Molecular Weight373.32 g/mol
Exact Mass373.04
IUPAC Name2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H9F6NS/c18-16(19,20)12-5-1-10(2-6-12)14-9-25-15(24-14)11-3-7-13(8-4-11)17(21,22)23/h1-9H
InChIKeyGULBZCGYUCDYAM-UHFFFAOYSA-N
XLogP6.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.32
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 2742410) is 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is GULBZCGYUCDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6NS/c18-16(19,20)12-5-1-10(2-6-12)14-9-25-15(24-14)11-3-7-13(8-4-11)17(21,22)23/h1-9H.
What are the key properties of 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 373.32 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 2742410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).