[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H23N5O2S — CID 122257917

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H23N5O2S/c1-4-6-14-15(25-21-20-14)16(23)22-8-5-7-13(10-22)24-17-18-11(2)9-12(3)19-17/h9,13H,4-8,10H2,1-3H3
InChIKeyLLEILAUVBHSKGK-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.58
Rot. Bonds5

About [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 122257917) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID122257917
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C17H23N5O2S/c1-4-6-14-15(25-21-20-14)16(23)22-8-5-7-13(10-22)24-17-18-11(2)9-12(3)19-17/h9,13H,4-8,10H2,1-3H3
InChIKeyLLEILAUVBHSKGK-UHFFFAOYSA-N
XLogP2.58
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 122257917) is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is LLEILAUVBHSKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-4-6-14-15(25-21-20-14)16(23)22-8-5-7-13(10-22)24-17-18-11(2)9-12(3)19-17/h9,13H,4-8,10H2,1-3H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 361.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 122257917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).