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

C17H23FN2S — CID 166963484

IUPAC5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole
SMILESCN1C(C)(C)CC(c2nc3cc(F)ccc3s2)CC1(C)C
InChIInChI=1S/C17H23FN2S/c1-16(2)9-11(10-17(3,4)20(16)5)15-19-13-8-12(18)6-7-14(13)21-15/h6-8,11H,9-10H2,1-5H3
InChIKeyXTXRQFDUDKPWRF-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.80
Rot. Bonds1

About 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole

5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole (PubChem CID 166963484) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole
PubChem CID166963484
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole
SMILESCN1C(C)(C)CC(c2nc3cc(F)ccc3s2)CC1(C)C
InChIInChI=1S/C17H23FN2S/c1-16(2)9-11(10-17(3,4)20(16)5)15-19-13-8-12(18)6-7-14(13)21-15/h6-8,11H,9-10H2,1-5H3
InChIKeyXTXRQFDUDKPWRF-UHFFFAOYSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole?
The IUPAC name of 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole (CID 166963484) is 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole is CN1C(C)(C)CC(c2nc3cc(F)ccc3s2)CC1(C)C.
What is the InChIKey of 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole?
The InChIKey is XTXRQFDUDKPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-16(2)9-11(10-17(3,4)20(16)5)15-19-13-8-12(18)6-7-14(13)21-15/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole?
5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole has a molecular weight of 306.45 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 166963484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).