[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol

C9H14N2O2S — CID 130689937

IUPAC[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol
SMILESOCC1(Cc2cnns2)CCCCO1
InChIInChI=1S/C9H14N2O2S/c12-7-9(3-1-2-4-13-9)5-8-6-10-11-14-8/h6,12H,1-5,7H2
InChIKeyHFQHOOPVRYHWBQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.01
Rot. Bonds3

About [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol

[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol (PubChem CID 130689937) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol
PubChem CID130689937
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol
SMILESOCC1(Cc2cnns2)CCCCO1
InChIInChI=1S/C9H14N2O2S/c12-7-9(3-1-2-4-13-9)5-8-6-10-11-14-8/h6,12H,1-5,7H2
InChIKeyHFQHOOPVRYHWBQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(thiadiazol-5-ylmethyl)oxan-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 [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol?
The IUPAC name of [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol (CID 130689937) is [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol.
What is the SMILES notation for [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol?
The canonical SMILES for [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol is OCC1(Cc2cnns2)CCCCO1.
What is the InChIKey of [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol?
The InChIKey is HFQHOOPVRYHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-7-9(3-1-2-4-13-9)5-8-6-10-11-14-8/h6,12H,1-5,7H2.
What are the key properties of [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol?
[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol has a molecular weight of 214.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol is sourced from PubChem (CID 130689937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).