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

C18H24N4O2S — CID 130366488

IUPAC1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol
SMILESCC(O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1
InChIInChI=1S/C18H24N4O2S/c1-12(15-4-3-14-5-10-24-16(14)11-15)21-6-8-22(9-7-21)18-20-19-17(25-18)13(2)23/h3-4,11-13,23H,5-10H2,1-2H3
InChIKeyBIRAUZFHKZSNEL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.41
Rot. Bonds4

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

1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol (PubChem CID 130366488) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol
PubChem CID130366488
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol
SMILESCC(O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1
InChIInChI=1S/C18H24N4O2S/c1-12(15-4-3-14-5-10-24-16(14)11-15)21-6-8-22(9-7-21)18-20-19-17(25-18)13(2)23/h3-4,11-13,23H,5-10H2,1-2H3
InChIKeyBIRAUZFHKZSNEL-UHFFFAOYSA-N
XLogP2.41
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol?
The IUPAC name of 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol (CID 130366488) is 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol is CC(O)c1nnc(N2CCN(C(C)c3ccc4c(c3)OCC4)CC2)s1.
What is the InChIKey of 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol?
The InChIKey is BIRAUZFHKZSNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12(15-4-3-14-5-10-24-16(14)11-15)21-6-8-22(9-7-21)18-20-19-17(25-18)13(2)23/h3-4,11-13,23H,5-10H2,1-2H3.
What are the key properties of 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol?
1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol has a molecular weight of 360.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]ethanol is sourced from PubChem (CID 130366488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).