2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole

C20H21FN2OS — CID 9337283

IUPAC2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCOc1ccc(F)cc1CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H21FN2OS/c1-24-18-7-6-16(21)12-15(18)13-23-10-8-14(9-11-23)20-22-17-4-2-3-5-19(17)25-20/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLQVSOFWAAWMKDJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.82
Rot. Bonds4

About 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole

2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole (PubChem CID 9337283) has the molecular formula C20H21FN2OS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
PubChem CID9337283
Molecular FormulaC20H21FN2OS
Molecular Weight356.47 g/mol
Exact Mass356.14
IUPAC Name2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
SMILESCOc1ccc(F)cc1CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H21FN2OS/c1-24-18-7-6-16(21)12-15(18)13-23-10-8-14(9-11-23)20-22-17-4-2-3-5-19(17)25-20/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLQVSOFWAAWMKDJ-UHFFFAOYSA-N
XLogP4.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole (CID 9337283) is 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole is COc1ccc(F)cc1CN1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole?
The InChIKey is LQVSOFWAAWMKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2OS/c1-24-18-7-6-16(21)12-15(18)13-23-10-8-14(9-11-23)20-22-17-4-2-3-5-19(17)25-20/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole?
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole has a molecular weight of 356.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 9337283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).