4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole

C12H19FN2S — CID 112564887

IUPAC4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(C)(F)C2CCCNC2)cs1
InChIInChI=1S/C12H19FN2S/c1-9-15-11(8-16-9)6-12(2,13)10-4-3-5-14-7-10/h8,10,14H,3-7H2,1-2H3
InChIKeyQZJIJOBOROZGFX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.72
Rot. Bonds3

About 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole

4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole (PubChem CID 112564887) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole
PubChem CID112564887
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(C)(F)C2CCCNC2)cs1
InChIInChI=1S/C12H19FN2S/c1-9-15-11(8-16-9)6-12(2,13)10-4-3-5-14-7-10/h8,10,14H,3-7H2,1-2H3
InChIKeyQZJIJOBOROZGFX-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole (CID 112564887) is 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole is Cc1nc(CC(C)(F)C2CCCNC2)cs1.
What is the InChIKey of 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole?
The InChIKey is QZJIJOBOROZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-9-15-11(8-16-9)6-12(2,13)10-4-3-5-14-7-10/h8,10,14H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole?
4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole has a molecular weight of 242.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-piperidin-3-ylpropyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 112564887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).