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6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride

C17H18ClFN4OS — CID 90255021

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
SMILESCl.Fc1ccc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H17FN4OS.ClH/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H
InChIKeyKATRCJGDNRGUPX-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.11
Rot. Bonds4

About 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride

6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride (PubChem CID 90255021) has the molecular formula C17H18ClFN4OS and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
PubChem CID90255021
Molecular FormulaC17H18ClFN4OS
Molecular Weight380.88 g/mol
Exact Mass380.09
IUPAC Name6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
SMILESCl.Fc1ccc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H17FN4OS.ClH/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H
InChIKeyKATRCJGDNRGUPX-UHFFFAOYSA-N
XLogP3.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride (CID 90255021) is 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride is Cl.Fc1ccc2nc(N3CCNCC3COc3cccnc3)sc2c1.
What is the InChIKey of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride?
The InChIKey is KATRCJGDNRGUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS.ClH/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H.
What are the key properties of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride?
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 90255021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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