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

C11H18N2O2S — CID 106825887

IUPAC[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol
SMILESCCc1nsc(OC2CCC(CO)CC2)n1
InChIInChI=1S/C11H18N2O2S/c1-2-10-12-11(16-13-10)15-9-5-3-8(7-14)4-6-9/h8-9,14H,2-7H2,1H3
InChIKeyQUPAPFRRDOUNMD-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.03
Rot. Bonds4

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

[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol (PubChem CID 106825887) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol
PubChem CID106825887
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol
SMILESCCc1nsc(OC2CCC(CO)CC2)n1
InChIInChI=1S/C11H18N2O2S/c1-2-10-12-11(16-13-10)15-9-5-3-8(7-14)4-6-9/h8-9,14H,2-7H2,1H3
InChIKeyQUPAPFRRDOUNMD-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol?
The IUPAC name of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol (CID 106825887) is [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol is CCc1nsc(OC2CCC(CO)CC2)n1.
What is the InChIKey of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol?
The InChIKey is QUPAPFRRDOUNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-10-12-11(16-13-10)15-9-5-3-8(7-14)4-6-9/h8-9,14H,2-7H2,1H3.
What are the key properties of [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol?
[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol has a molecular weight of 242.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]cyclohexyl]methanol is sourced from PubChem (CID 106825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).