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

C10H5ClF3NS — CID 91215053

IUPAC2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cl)ccc1-c1nccs1
InChIInChI=1S/C10H5ClF3NS/c11-6-1-2-7(9-15-3-4-16-9)8(5-6)10(12,13)14/h1-5H
InChIKeyXXOZMGOBNXMYIN-UHFFFAOYSA-N
MW263.67 g/mol
LogP4.48
Rot. Bonds1

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

2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 91215053) has the molecular formula C10H5ClF3NS and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID91215053
Molecular FormulaC10H5ClF3NS
Molecular Weight263.67 g/mol
Exact Mass262.98
IUPAC Name2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cl)ccc1-c1nccs1
InChIInChI=1S/C10H5ClF3NS/c11-6-1-2-7(9-15-3-4-16-9)8(5-6)10(12,13)14/h1-5H
InChIKeyXXOZMGOBNXMYIN-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 91215053) is 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cc(Cl)ccc1-c1nccs1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is XXOZMGOBNXMYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NS/c11-6-1-2-7(9-15-3-4-16-9)8(5-6)10(12,13)14/h1-5H.
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 263.67 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 91215053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).