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

C11H18N2O2S — CID 80619219

IUPAC[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(Oc2nnc(CO)s2)CC1C
InChIInChI=1S/C11H18N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h7-9,14H,3-6H2,1-2H3
InChIKeyJUBDVLAHCCOSRJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.23
Rot. Bonds3

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

[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619219) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619219
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol
SMILESCC1CCC(Oc2nnc(CO)s2)CC1C
InChIInChI=1S/C11H18N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h7-9,14H,3-6H2,1-2H3
InChIKeyJUBDVLAHCCOSRJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol (CID 80619219) is [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is CC1CCC(Oc2nnc(CO)s2)CC1C.
What is the InChIKey of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is JUBDVLAHCCOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-3-4-9(5-8(7)2)15-11-13-12-10(6-14)16-11/h7-9,14H,3-6H2,1-2H3.
What are the key properties of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol?
[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 242.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).