2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole

C18H17FN4S — CID 155515098

IUPAC2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole
SMILESFc1cccc2c1C(C1CCN(c3nccs3)CC1)n1cncc1-2
InChIInChI=1S/C18H17FN4S/c19-14-3-1-2-13-15-10-20-11-23(15)17(16(13)14)12-4-7-22(8-5-12)18-21-6-9-24-18/h1-3,6,9-12,17H,4-5,7-8H2
InChIKeyWOALNEUXJJGUMC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.97
Rot. Bonds2

About 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole

2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 155515098) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID155515098
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole
SMILESFc1cccc2c1C(C1CCN(c3nccs3)CC1)n1cncc1-2
InChIInChI=1S/C18H17FN4S/c19-14-3-1-2-13-15-10-20-11-23(15)17(16(13)14)12-4-7-22(8-5-12)18-21-6-9-24-18/h1-3,6,9-12,17H,4-5,7-8H2
InChIKeyWOALNEUXJJGUMC-UHFFFAOYSA-N
XLogP3.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole (CID 155515098) is 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole is Fc1cccc2c1C(C1CCN(c3nccs3)CC1)n1cncc1-2.
What is the InChIKey of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is WOALNEUXJJGUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c19-14-3-1-2-13-15-10-20-11-23(15)17(16(13)14)12-4-7-22(8-5-12)18-21-6-9-24-18/h1-3,6,9-12,17H,4-5,7-8H2.
What are the key properties of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole?
2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 340.43 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 155515098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).