2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole

C13H7F3N2S — CID 134103115

IUPAC2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2sc(-c3ccccn3)nc12
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)8-4-3-6-10-11(8)18-12(19-10)9-5-1-2-7-17-9/h1-7H
InChIKeyNXDBFVDDUIXYPK-UHFFFAOYSA-N
MW280.27 g/mol
LogP4.38
Rot. Bonds1

About 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole

2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 134103115) has the molecular formula C13H7F3N2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
PubChem CID134103115
Molecular FormulaC13H7F3N2S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cccc2sc(-c3ccccn3)nc12
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)8-4-3-6-10-11(8)18-12(19-10)9-5-1-2-7-17-9/h1-7H
InChIKeyNXDBFVDDUIXYPK-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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Related Compounds

4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 66836122
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062
CID 154704206
CID 154704206
N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 71779000
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole
CID 138633592

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole (CID 134103115) is 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cccc2sc(-c3ccccn3)nc12.
What is the InChIKey of 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is NXDBFVDDUIXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S/c14-13(15,16)8-4-3-6-10-11(8)18-12(19-10)9-5-1-2-7-17-9/h1-7H.
What are the key properties of 2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole?
2-pyridin-2-yl-4-(trifluoromethyl)-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-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 134103115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).