2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole

C16H9FN2S — CID 132941987

IUPAC2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole
SMILESFc1ccc2ccc(-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C16H9FN2S/c17-11-7-5-10-6-8-13(18-14(10)9-11)16-19-12-3-1-2-4-15(12)20-16/h1-9H
InChIKeyQDIFPLWXVKYGNR-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.65
Rot. Bonds1

About 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole

2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole (PubChem CID 132941987) has the molecular formula C16H9FN2S and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole
PubChem CID132941987
Molecular FormulaC16H9FN2S
Molecular Weight280.33 g/mol
Exact Mass280.05
IUPAC Name2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole
SMILESFc1ccc2ccc(-c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C16H9FN2S/c17-11-7-5-10-6-8-13(18-14(10)9-11)16-19-12-3-1-2-4-15(12)20-16/h1-9H
InChIKeyQDIFPLWXVKYGNR-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850431
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
CID 54671861
2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzothiazole bromide
CID 91680084
2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]aniline
CID 110826350
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzothiazole
CID 168797185
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
[6-(1,3-benzothiazol-2-yl)pyridazin-3-yl]hydrazine
CID 62783694
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-fluoroaniline
CID 104631203
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-fluoroaniline
CID 104631179
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole (CID 132941987) is 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole is Fc1ccc2ccc(-c3nc4ccccc4s3)nc2c1.
What is the InChIKey of 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole?
The InChIKey is QDIFPLWXVKYGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2S/c17-11-7-5-10-6-8-13(18-14(10)9-11)16-19-12-3-1-2-4-15(12)20-16/h1-9H.
What are the key properties of 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole?
2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole has a molecular weight of 280.33 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoroquinolin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 132941987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).