[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol

C11H20N4O2S — CID 138019075

IUPAC[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol
SMILESCOCCc1nsc(N2CCN(C)C(CO)C2)n1
InChIInChI=1S/C11H20N4O2S/c1-14-4-5-15(7-9(14)8-16)11-12-10(13-18-11)3-6-17-2/h9,16H,3-8H2,1-2H3
InChIKeyCMZSUGNJDYIPEB-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.16
Rot. Bonds5

About [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol

[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol (PubChem CID 138019075) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol
PubChem CID138019075
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol
SMILESCOCCc1nsc(N2CCN(C)C(CO)C2)n1
InChIInChI=1S/C11H20N4O2S/c1-14-4-5-15(7-9(14)8-16)11-12-10(13-18-11)3-6-17-2/h9,16H,3-8H2,1-2H3
InChIKeyCMZSUGNJDYIPEB-UHFFFAOYSA-N
XLogP-0.16
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol (CID 138019075) is [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol is COCCc1nsc(N2CCN(C)C(CO)C2)n1.
What is the InChIKey of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is CMZSUGNJDYIPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-14-4-5-15(7-9(14)8-16)11-12-10(13-18-11)3-6-17-2/h9,16H,3-8H2,1-2H3.
What are the key properties of [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol?
[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 272.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 138019075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).