4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole

C11H5F6NS — CID 91270161

IUPAC4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cscn2)c1
InChIInChI=1S/C11H5F6NS/c12-10(13,14)6-1-2-8(11(15,16)17)7(3-6)9-4-19-5-18-9/h1-5H
InChIKeyAPTVQALGGQSHMP-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.85
Rot. Bonds1

About 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole

4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 91270161) has the molecular formula C11H5F6NS and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID91270161
Molecular FormulaC11H5F6NS
Molecular Weight297.22 g/mol
Exact Mass297.00
IUPAC Name4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cscn2)c1
InChIInChI=1S/C11H5F6NS/c12-10(13,14)6-1-2-8(11(15,16)17)7(3-6)9-4-19-5-18-9/h1-5H
InChIKeyAPTVQALGGQSHMP-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole (CID 91270161) is 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(C(F)(F)F)c(-c2cscn2)c1.
What is the InChIKey of 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is APTVQALGGQSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NS/c12-10(13,14)6-1-2-8(11(15,16)17)7(3-6)9-4-19-5-18-9/h1-5H.
What are the key properties of 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole?
4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 297.22 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 91270161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).