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

C16H17F3N4O2S — CID 122267527

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-9-13(26-10(2)21-9)14(24)23-7-3-4-11(8-23)25-15-20-6-5-12(22-15)16(17,18)19/h5-6,11H,3-4,7-8H2,1-2H3
InChIKeyIMKHHSCTEPLZCU-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.25
Rot. Bonds3

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267527) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267527
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1
InChIInChI=1S/C16H17F3N4O2S/c1-9-13(26-10(2)21-9)14(24)23-7-3-4-11(8-23)25-15-20-6-5-12(22-15)16(17,18)19/h5-6,11H,3-4,7-8H2,1-2H3
InChIKeyIMKHHSCTEPLZCU-UHFFFAOYSA-N
XLogP3.25
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrimidin-2-yloxypyrrolidin-1-yl]methanone
CID 129523126
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129564261
(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56168533
[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110676674
(2,4-Dimethylthiazol-5-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122160233
(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)methanone
CID 122258231
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-methylthiazol-5-yl)methanone
CID 122258519
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267340
(2-Methylthiazol-4-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267359
(4-Methyl-1,2,3-thiadiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267532
(4-Propyl-1,2,3-thiadiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267564
(4-Methylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267638

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267527) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is IMKHHSCTEPLZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-9-13(26-10(2)21-9)14(24)23-7-3-4-11(8-23)25-15-20-6-5-12(22-15)16(17,18)19/h5-6,11H,3-4,7-8H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 386.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).