methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate

C10H16N4O3S — CID 43949685

IUPACmethyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
SMILESCOC(=O)COc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C10H16N4O3S/c1-13-3-5-14(6-4-13)9-10(12-18-11-9)17-7-8(15)16-2/h3-7H2,1-2H3
InChIKeyBWYPORPXXDEOIF-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.16
Rot. Bonds4

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

methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate (PubChem CID 43949685) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
PubChem CID43949685
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate
SMILESCOC(=O)COc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C10H16N4O3S/c1-13-3-5-14(6-4-13)9-10(12-18-11-9)17-7-8(15)16-2/h3-7H2,1-2H3
InChIKeyBWYPORPXXDEOIF-UHFFFAOYSA-N
XLogP-0.16
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate?
The IUPAC name of methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate (CID 43949685) is methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate is COC(=O)COc1nsnc1N1CCN(C)CC1.
What is the InChIKey of methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate?
The InChIKey is BWYPORPXXDEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13-3-5-14(6-4-13)9-10(12-18-11-9)17-7-8(15)16-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate?
methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate has a molecular weight of 272.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]acetate is sourced from PubChem (CID 43949685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).