[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol

C9H16N2O2S — CID 80619583

IUPAC[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(C)CC(C)Oc1nnc(CO)s1
InChIInChI=1S/C9H16N2O2S/c1-6(2)4-7(3)13-9-11-10-8(5-12)14-9/h6-7,12H,4-5H2,1-3H3
InChIKeyWPJYYFYCSOHISR-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.84
Rot. Bonds5

About [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol

[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 80619583) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID80619583
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol
SMILESCC(C)CC(C)Oc1nnc(CO)s1
InChIInChI=1S/C9H16N2O2S/c1-6(2)4-7(3)13-9-11-10-8(5-12)14-9/h6-7,12H,4-5H2,1-3H3
InChIKeyWPJYYFYCSOHISR-UHFFFAOYSA-N
XLogP1.84
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol (CID 80619583) is [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol is CC(C)CC(C)Oc1nnc(CO)s1.
What is the InChIKey of [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is WPJYYFYCSOHISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(2)4-7(3)13-9-11-10-8(5-12)14-9/h6-7,12H,4-5H2,1-3H3.
What are the key properties of [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol?
[5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 216.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpentan-2-yloxy)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 80619583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).