2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol

C15H20N4O2S — CID 133352118

IUPAC2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
SMILESCOCCc1nsc(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-21-11-6-14-16-15(22-17-14)19-9-7-18(8-10-19)12-4-2-3-5-13(12)20/h2-5,20H,6-11H2,1H3
InChIKeyGNGJVSJOFBUZBZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol

2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol (PubChem CID 133352118) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
PubChem CID133352118
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol
SMILESCOCCc1nsc(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C15H20N4O2S/c1-21-11-6-14-16-15(22-17-14)19-9-7-18(8-10-19)12-4-2-3-5-13(12)20/h2-5,20H,6-11H2,1H3
InChIKeyGNGJVSJOFBUZBZ-UHFFFAOYSA-N
XLogP1.76
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-[4-(2-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133372821
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
4-chloro-5-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133358183
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-(2-methoxyethyl)-5-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133473932
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
CID 133358321
2,3-dihydroindol-1-yl-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanone
CID 172901973
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
5-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369826
1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-methylpyrrolidin-3-ol
CID 133410736
5-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369822
[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]-piperidin-1-ylmethanone
CID 172899870

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol (CID 133352118) is 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol is COCCc1nsc(N2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol?
The InChIKey is GNGJVSJOFBUZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-21-11-6-14-16-15(22-17-14)19-9-7-18(8-10-19)12-4-2-3-5-13(12)20/h2-5,20H,6-11H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol?
2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol has a molecular weight of 320.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 133352118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).