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

C11H15F3N2S — CID 83959796

IUPAC4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1CN1CCCCC1
InChIInChI=1S/C11H15F3N2S/c1-8-9(7-16-5-3-2-4-6-16)17-10(15-8)11(12,13)14/h2-7H2,1H3
InChIKeyOQHKHENOEGZVGJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.46
Rot. Bonds2

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

4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 83959796) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID83959796
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1CN1CCCCC1
InChIInChI=1S/C11H15F3N2S/c1-8-9(7-16-5-3-2-4-6-16)17-10(15-8)11(12,13)14/h2-7H2,1H3
InChIKeyOQHKHENOEGZVGJ-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 83959796) is 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)sc1CN1CCCCC1.
What is the InChIKey of 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OQHKHENOEGZVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-8-9(7-16-5-3-2-4-6-16)17-10(15-8)11(12,13)14/h2-7H2,1H3.
What are the key properties of 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 264.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 83959796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).