2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole

C14H8F3NS — CID 1214783

IUPAC2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H
InChIKeyPWMCQSYGJVJXFU-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.98
Rot. Bonds1

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

2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole (PubChem CID 1214783) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
PubChem CID1214783
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H
InChIKeyPWMCQSYGJVJXFU-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole (CID 1214783) is 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole is FC(F)(F)c1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The InChIKey is PWMCQSYGJVJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)10-6-2-1-5-9(10)13-18-11-7-3-4-8-12(11)19-13/h1-8H.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole?
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole has a molecular weight of 279.29 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 1214783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).