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

C14H15FN4O2S — CID 122258249

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cs1
InChIInChI=1S/C14H15FN4O2S/c1-9-18-12(8-22-9)13(20)19-4-2-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,8,11H,2-4,7H2,1H3
InChIKeyMUOXLRROVHAQFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.06
Rot. Bonds3

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

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 122258249) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID122258249
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cs1
InChIInChI=1S/C14H15FN4O2S/c1-9-18-12(8-22-9)13(20)19-4-2-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,8,11H,2-4,7H2,1H3
InChIKeyMUOXLRROVHAQFW-UHFFFAOYSA-N
XLogP2.06
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Pyrimidin-2-ylpiperazin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038076
2-methyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 91626359
[(5aR,8aS)-7-(5-fluoropyrimidin-2-yl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97420321
[8-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97449454
(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-methylthiazol-5-yl)methanone
CID 122258519
(2-Methylthiazol-4-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267359
[(5aS,8aR)-7-(5-fluoropyrimidin-2-yl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 124794069
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 129522668
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 129522669
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepane
CID 138383090
5-Fluoro-2-{[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]oxy}pyrimidine
CID 145869159

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 122258249) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)cs1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MUOXLRROVHAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-9-18-12(8-22-9)13(20)19-4-2-3-11(7-19)21-14-16-5-10(15)6-17-14/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 122258249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).