(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol

C9H14N2O2S — CID 80619199

IUPAC(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol
SMILESOCc1nnc(OC2CCCCC2)s1
InChIInChI=1S/C9H14N2O2S/c12-6-8-10-11-9(14-8)13-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyHSLSWNSGGDDVIX-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.74
Rot. Bonds3

About (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol

(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol (PubChem CID 80619199) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol
PubChem CID80619199
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol
SMILESOCc1nnc(OC2CCCCC2)s1
InChIInChI=1S/C9H14N2O2S/c12-6-8-10-11-9(14-8)13-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyHSLSWNSGGDDVIX-UHFFFAOYSA-N
XLogP1.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol?
The IUPAC name of (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol (CID 80619199) is (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol.
What is the SMILES notation for (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol?
The canonical SMILES for (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol is OCc1nnc(OC2CCCCC2)s1.
What is the InChIKey of (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol?
The InChIKey is HSLSWNSGGDDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-6-8-10-11-9(14-8)13-7-4-2-1-3-5-7/h7,12H,1-6H2.
What are the key properties of (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol?
(5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyloxy-1,3,4-thiadiazol-2-yl)methanol is sourced from PubChem (CID 80619199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).