[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C15H18FN5O2S — CID 122258447

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H18FN5O2S/c1-2-4-12-13(24-20-19-12)14(22)21-6-3-5-11(9-21)23-15-17-7-10(16)8-18-15/h7-8,11H,2-6,9H2,1H3
InChIKeyPCXVKQVGSIIVFA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds5

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 122258447) has the molecular formula C15H18FN5O2S and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID122258447
Molecular FormulaC15H18FN5O2S
Molecular Weight351.41 g/mol
Exact Mass351.12
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H18FN5O2S/c1-2-4-12-13(24-20-19-12)14(22)21-6-3-5-11(9-21)23-15-17-7-10(16)8-18-15/h7-8,11H,2-6,9H2,1H3
InChIKeyPCXVKQVGSIIVFA-UHFFFAOYSA-N
XLogP2.10
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 122258447) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is PCXVKQVGSIIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S/c1-2-4-12-13(24-20-19-12)14(22)21-6-3-5-11(9-21)23-15-17-7-10(16)8-18-15/h7-8,11H,2-6,9H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 122258447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).