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

C11H18N2O2S — CID 80618964

IUPAC[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CCCC(Oc2nnc(CO)s2)C1
InChIInChI=1S/C11H18N2O2S/c1-2-8-4-3-5-9(6-8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3
InChIKeyXHWMVATXJZBYAL-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.38
Rot. Bonds4

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

[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80618964) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80618964
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CCCC(Oc2nnc(CO)s2)C1
InChIInChI=1S/C11H18N2O2S/c1-2-8-4-3-5-9(6-8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3
InChIKeyXHWMVATXJZBYAL-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (CID 80618964) is [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is CCC1CCCC(Oc2nnc(CO)s2)C1.
What is the InChIKey of [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is XHWMVATXJZBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-8-4-3-5-9(6-8)15-11-13-12-10(7-14)16-11/h8-9,14H,2-7H2,1H3.
What are the key properties of [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 242.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80618964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).