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

C14H15FN4O2S — CID 122258519

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H15FN4O2S/c1-9-12(22-8-18-9)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
InChIKeyQKKGSWROLGTZNU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.06
Rot. Bonds3

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

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 122258519) 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]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID122258519
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H15FN4O2S/c1-9-12(22-8-18-9)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
InChIKeyQKKGSWROLGTZNU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]-1,3-thiazole-5-carboxamide
CID 91626420
(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
2,4-dimethyl-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]-1,3-thiazole-5-carboxamide
CID 91626386
(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-1,2,3-thiadiazol-5-yl)methanone
CID 122160234
(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)(2-methylthiazol-4-yl)methanone
CID 122258249
(2,4-Dimethylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267527
(4-Methylthiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267638
(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

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 122258519) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is QKKGSWROLGTZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-9-12(22-8-18-9)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]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-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]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 122258519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).