5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole

C11H17FN2S — CID 84792297

IUPAC5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCNCC2)s1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyMBJYQTGBXKWLQD-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.81
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole

5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 84792297) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID84792297
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCNCC2)s1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyMBJYQTGBXKWLQD-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole (CID 84792297) is 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole is CC(C)(F)c1cnc(C2CCNCC2)s1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is MBJYQTGBXKWLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole?
5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 84792297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).