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

C11H17FN2S — CID 112565418

IUPAC4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(F)C2CCCNC2)cs1
InChIInChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)5-11(12)9-3-2-4-13-6-9/h7,9,11,13H,2-6H2,1H3
InChIKeyARCKBAKJWXGTAG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.33
Rot. Bonds3

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

4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole (PubChem CID 112565418) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole
PubChem CID112565418
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(CC(F)C2CCCNC2)cs1
InChIInChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)5-11(12)9-3-2-4-13-6-9/h7,9,11,13H,2-6H2,1H3
InChIKeyARCKBAKJWXGTAG-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 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole (CID 112565418) is 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole is Cc1nc(CC(F)C2CCCNC2)cs1.
What is the InChIKey of 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole?
The InChIKey is ARCKBAKJWXGTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)5-11(12)9-3-2-4-13-6-9/h7,9,11,13H,2-6H2,1H3.
What are the key properties of 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole?
4-(2-fluoro-2-piperidin-3-ylethyl)-2-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 4-(2-fluoro-2-piperidin-3-ylethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 112565418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).