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

C11H17FN2S — CID 112565329

IUPAC2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CC(F)C2CCCNC2)n1
InChIInChI=1S/C11H17FN2S/c1-8-7-15-11(14-8)5-10(12)9-3-2-4-13-6-9/h7,9-10,13H,2-6H2,1H3
InChIKeyFZNHCFCXOZATIF-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.33
Rot. Bonds3

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

2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole (PubChem CID 112565329) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole
PubChem CID112565329
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CC(F)C2CCCNC2)n1
InChIInChI=1S/C11H17FN2S/c1-8-7-15-11(14-8)5-10(12)9-3-2-4-13-6-9/h7,9-10,13H,2-6H2,1H3
InChIKeyFZNHCFCXOZATIF-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole (CID 112565329) is 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole is Cc1csc(CC(F)C2CCCNC2)n1.
What is the InChIKey of 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole?
The InChIKey is FZNHCFCXOZATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8-7-15-11(14-8)5-10(12)9-3-2-4-13-6-9/h7,9-10,13H,2-6H2,1H3.
What are the key properties of 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole?
2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 112565329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).