2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole

C13H7F3N2S — CID 69499454

IUPAC2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccncc1-c1nc2ccccc2s1
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)9-5-6-17-7-8(9)12-18-10-3-1-2-4-11(10)19-12/h1-7H
InChIKeyBHHHUSFIDGVXKO-UHFFFAOYSA-N
MW280.27 g/mol
LogP4.38
Rot. Bonds1

About 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole

2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 69499454) has the molecular formula C13H7F3N2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID69499454
Molecular FormulaC13H7F3N2S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccncc1-c1nc2ccccc2s1
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)9-5-6-17-7-8(9)12-18-10-3-1-2-4-11(10)19-12/h1-7H
InChIKeyBHHHUSFIDGVXKO-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole (CID 69499454) is 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole is FC(F)(F)c1ccncc1-c1nc2ccccc2s1.
What is the InChIKey of 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is BHHHUSFIDGVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S/c14-13(15,16)9-5-6-17-7-8(9)12-18-10-3-1-2-4-11(10)19-12/h1-7H.
What are the key properties of 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole?
2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 280.27 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 69499454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).