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

C11H20N2O2S — CID 80619200

IUPAC[5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCCCCC(CC)COc1nnc(CO)s1
InChIInChI=1S/C11H20N2O2S/c1-3-5-6-9(4-2)8-15-11-13-12-10(7-14)16-11/h9,14H,3-8H2,1-2H3
InChIKeyPXOHVYCZVHLIEQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.63
Rot. Bonds8

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

[5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619200) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619200
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name[5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCCCCC(CC)COc1nnc(CO)s1
InChIInChI=1S/C11H20N2O2S/c1-3-5-6-9(4-2)8-15-11-13-12-10(7-14)16-11/h9,14H,3-8H2,1-2H3
InChIKeyPXOHVYCZVHLIEQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80619200) is [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol is CCCCC(CC)COc1nnc(CO)s1.
What is the InChIKey of [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is PXOHVYCZVHLIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-5-6-9(4-2)8-15-11-13-12-10(7-14)16-11/h9,14H,3-8H2,1-2H3.
What are the key properties of [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 244.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).