4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole

C16H15FN4S — CID 121083550

IUPAC4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
SMILESFc1cccc2sc(N3CCN(c4ccccn4)CC3)nc12
InChIInChI=1S/C16H15FN4S/c17-12-4-3-5-13-15(12)19-16(22-13)21-10-8-20(9-11-21)14-6-1-2-7-18-14/h1-7H,8-11H2
InChIKeyRBSZOZOFPVIQSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.16
Rot. Bonds2

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

4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 121083550) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID121083550
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
SMILESFc1cccc2sc(N3CCN(c4ccccn4)CC3)nc12
InChIInChI=1S/C16H15FN4S/c17-12-4-3-5-13-15(12)19-16(22-13)21-10-8-20(9-11-21)14-6-1-2-7-18-14/h1-7H,8-11H2
InChIKeyRBSZOZOFPVIQSD-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 7539562
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
2-(1,4-diazepan-1-yl)-4-fluoro-1,3-benzothiazole
CID 82192711
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
(2-chlorophenyl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539567
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
4-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081618
[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692684
(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 133118551
[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 7539565

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole (CID 121083550) is 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole is Fc1cccc2sc(N3CCN(c4ccccn4)CC3)nc12.
What is the InChIKey of 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is RBSZOZOFPVIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c17-12-4-3-5-13-15(12)19-16(22-13)21-10-8-20(9-11-21)14-6-1-2-7-18-14/h1-7H,8-11H2.
What are the key properties of 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole?
4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 314.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 121083550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).