3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one

C18H16FN3O3S — CID 75278402

IUPAC3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one
SMILESO=C1C=CC(C(=O)N2CCC(Oc3nc4ccc(F)cc4s3)CC2)C=N1
InChIInChI=1S/C18H16FN3O3S/c19-12-2-3-14-15(9-12)26-18(21-14)25-13-5-7-22(8-6-13)17(24)11-1-4-16(23)20-10-11/h1-4,9-11,13H,5-8H2
InChIKeyLXSHYTDMMMSCPH-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.59
Rot. Bonds3

About 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one

3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one (PubChem CID 75278402) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one.

Molecular Properties

Compound Name3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one
PubChem CID75278402
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one
SMILESO=C1C=CC(C(=O)N2CCC(Oc3nc4ccc(F)cc4s3)CC2)C=N1
InChIInChI=1S/C18H16FN3O3S/c19-12-2-3-14-15(9-12)26-18(21-14)25-13-5-7-22(8-6-13)17(24)11-1-4-16(23)20-10-11/h1-4,9-11,13H,5-8H2
InChIKeyLXSHYTDMMMSCPH-UHFFFAOYSA-N
XLogP2.59
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one?
The IUPAC name of 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one (CID 75278402) is 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one.
What is the SMILES notation for 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one?
The canonical SMILES for 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one is O=C1C=CC(C(=O)N2CCC(Oc3nc4ccc(F)cc4s3)CC2)C=N1.
What is the InChIKey of 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one?
The InChIKey is LXSHYTDMMMSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-12-2-3-14-15(9-12)26-18(21-14)25-13-5-7-22(8-6-13)17(24)11-1-4-16(23)20-10-11/h1-4,9-11,13H,5-8H2.
What are the key properties of 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one?
3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one has a molecular weight of 373.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one is sourced from PubChem (CID 75278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).