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

C13H14FN5O2S — CID 122160234

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2S/c1-8-11(22-18-17-8)12(20)19-4-2-3-10(7-19)21-13-15-5-9(14)6-16-13/h5-6,10H,2-4,7H2,1H3
InChIKeyYLDJDDNEQTVVQI-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.46
Rot. Bonds3

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

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 122160234) has the molecular formula C13H14FN5O2S and a molecular weight of 323.35 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID122160234
Molecular FormulaC13H14FN5O2S
Molecular Weight323.35 g/mol
Exact Mass323.09
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2S/c1-8-11(22-18-17-8)12(20)19-4-2-3-10(7-19)21-13-15-5-9(14)6-16-13/h5-6,10H,2-4,7H2,1H3
InChIKeyYLDJDDNEQTVVQI-UHFFFAOYSA-N
XLogP1.46
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.46
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-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 122160234) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is YLDJDDNEQTVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2S/c1-8-11(22-18-17-8)12(20)19-4-2-3-10(7-19)21-13-15-5-9(14)6-16-13/h5-6,10H,2-4,7H2,1H3.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 323.35 g/mol, XLogP of 1.46, 3 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-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 122160234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).