(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

C15H15F3N4O2S — CID 122267638

IUPAC(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H15F3N4O2S/c1-9-12(25-8-20-9)13(23)22-6-2-3-10(7-22)24-14-19-5-4-11(21-14)15(16,17)18/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyMGFBHQRHPWMKRR-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.94
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267638) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267638
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H15F3N4O2S/c1-9-12(25-8-20-9)13(23)22-6-2-3-10(7-22)24-14-19-5-4-11(21-14)15(16,17)18/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeyMGFBHQRHPWMKRR-UHFFFAOYSA-N
XLogP2.94
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267638) is (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCCC(Oc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is MGFBHQRHPWMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-9-12(25-8-20-9)13(23)22-6-2-3-10(7-22)24-14-19-5-4-11(21-14)15(16,17)18/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 372.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).