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

C10H5ClF3NS — CID 142709516

IUPAC4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Cl)cc1-c1cscn1
InChIInChI=1S/C10H5ClF3NS/c11-6-1-2-8(10(12,13)14)7(3-6)9-4-16-5-15-9/h1-5H
InChIKeyDFKDIPJAVOOAOJ-UHFFFAOYSA-N
MW263.67 g/mol
LogP4.48
Rot. Bonds1

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

4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 142709516) has the molecular formula C10H5ClF3NS and a molecular weight of 263.67 g/mol. Its IUPAC name is 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID142709516
Molecular FormulaC10H5ClF3NS
Molecular Weight263.67 g/mol
Exact Mass262.98
IUPAC Name4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Cl)cc1-c1cscn1
InChIInChI=1S/C10H5ClF3NS/c11-6-1-2-8(10(12,13)14)7(3-6)9-4-16-5-15-9/h1-5H
InChIKeyDFKDIPJAVOOAOJ-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 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 142709516) is 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(Cl)cc1-c1cscn1.
What is the InChIKey of 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is DFKDIPJAVOOAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NS/c11-6-1-2-8(10(12,13)14)7(3-6)9-4-16-5-15-9/h1-5H.
What are the key properties of 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[5-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 4-[5-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 142709516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).