[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol

C17H22N4O2S — CID 130366499

IUPAC[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nnc(CO)s2)CC1
InChIInChI=1S/C17H22N4O2S/c1-12(14-3-2-13-4-9-23-15(13)10-14)20-5-7-21(8-6-20)17-19-18-16(11-22)24-17/h2-3,10,12,22H,4-9,11H2,1H3
InChIKeySVHIWLAKNKXQNG-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds4

About [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol

[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 130366499) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol
PubChem CID130366499
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nnc(CO)s2)CC1
InChIInChI=1S/C17H22N4O2S/c1-12(14-3-2-13-4-9-23-15(13)10-14)20-5-7-21(8-6-20)17-19-18-16(11-22)24-17/h2-3,10,12,22H,4-9,11H2,1H3
InChIKeySVHIWLAKNKXQNG-UHFFFAOYSA-N
XLogP1.85
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol (CID 130366499) is [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol is CC(c1ccc2c(c1)OCC2)N1CCN(c2nnc(CO)s2)CC1.
What is the InChIKey of [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is SVHIWLAKNKXQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12(14-3-2-13-4-9-23-15(13)10-14)20-5-7-21(8-6-20)17-19-18-16(11-22)24-17/h2-3,10,12,22H,4-9,11H2,1H3.
What are the key properties of [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol?
[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 346.46 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 130366499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).