methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate

C12H19N3O3S — CID 43949610

IUPACmethyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate
SMILESCOC(=O)C(C)Oc1nsnc1N1CCCCC1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-4-5-7-15(8)10-11(14-19-13-10)18-9(2)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyTVXGYYXFNYTBAI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.86
Rot. Bonds4

About methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate

methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate (PubChem CID 43949610) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate
PubChem CID43949610
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate
SMILESCOC(=O)C(C)Oc1nsnc1N1CCCCC1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-4-5-7-15(8)10-11(14-19-13-10)18-9(2)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyTVXGYYXFNYTBAI-UHFFFAOYSA-N
XLogP1.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate?
The IUPAC name of methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate (CID 43949610) is methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate.
What is the SMILES notation for methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate?
The canonical SMILES for methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate is COC(=O)C(C)Oc1nsnc1N1CCCCC1C.
What is the InChIKey of methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate?
The InChIKey is TVXGYYXFNYTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-4-5-7-15(8)10-11(14-19-13-10)18-9(2)12(16)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate?
methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate has a molecular weight of 285.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate is sourced from PubChem (CID 43949610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).