6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole

C16H13FN2S — CID 106902599

IUPAC6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
SMILESFc1ccc2nc(C3CNc4ccccc4C3)sc2c1
InChIInChI=1S/C16H13FN2S/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-6,8,11,18H,7,9H2
InChIKeyULZQKSVTLNVKOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.19
Rot. Bonds1

About 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole

6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole (PubChem CID 106902599) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
PubChem CID106902599
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
SMILESFc1ccc2nc(C3CNc4ccccc4C3)sc2c1
InChIInChI=1S/C16H13FN2S/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-6,8,11,18H,7,9H2
InChIKeyULZQKSVTLNVKOG-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole
CID 106902598
6-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-benzothiazole
CID 79128855
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-6-fluoro-1,3-benzothiazole
CID 79147801
2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole
CID 80566161
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1,3-benzothiazole
CID 116682411
5-fluoro-2-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-benzothiazole
CID 166186321
2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride
CID 142323036
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902657

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole (CID 106902599) is 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole is Fc1ccc2nc(C3CNc4ccccc4C3)sc2c1.
What is the InChIKey of 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
The InChIKey is ULZQKSVTLNVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-6,8,11,18H,7,9H2.
What are the key properties of 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole?
6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole has a molecular weight of 284.36 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 106902599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).