5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole

C11H17FN2S — CID 84792288

IUPAC5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCCNC2)sc1CF
InChIInChI=1S/C11H17FN2S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h9,13H,2-7H2,1H3
InChIKeyYUCWESWLRIZDKE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.46
Rot. Bonds3

About 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole

5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 84792288) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID84792288
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCCNC2)sc1CF
InChIInChI=1S/C11H17FN2S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h9,13H,2-7H2,1H3
InChIKeyYUCWESWLRIZDKE-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
5-(fluoromethyl)-4-methyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 84775884
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562249

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole (CID 84792288) is 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole is Cc1nc(CC2CCCNC2)sc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is YUCWESWLRIZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8-10(6-12)15-11(14-8)5-9-3-2-4-13-7-9/h9,13H,2-7H2,1H3.
What are the key properties of 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole?
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84792288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).