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

C10H16N2O2S — CID 80619848

IUPAC[5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(Oc2nnc(CO)s2)CC1
InChIInChI=1S/C10H16N2O2S/c1-7-2-4-8(5-3-7)14-10-12-11-9(6-13)15-10/h7-8,13H,2-6H2,1H3
InChIKeyJIQDWKKYDFWNDP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.99
Rot. Bonds3

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

[5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619848) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619848
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name[5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(Oc2nnc(CO)s2)CC1
InChIInChI=1S/C10H16N2O2S/c1-7-2-4-8(5-3-7)14-10-12-11-9(6-13)15-10/h7-8,13H,2-6H2,1H3
InChIKeyJIQDWKKYDFWNDP-UHFFFAOYSA-N
XLogP1.99
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (CID 80619848) is [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is CC1CCC(Oc2nnc(CO)s2)CC1.
What is the InChIKey of [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is JIQDWKKYDFWNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-2-4-8(5-3-7)14-10-12-11-9(6-13)15-10/h7-8,13H,2-6H2,1H3.
What are the key properties of [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
[5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 228.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).