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

C8H12N2O2S — CID 130609951

IUPAC[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol
SMILESOCC1(Cc2cnns2)CCCO1
InChIInChI=1S/C8H12N2O2S/c11-6-8(2-1-3-12-8)4-7-5-9-10-13-7/h5,11H,1-4,6H2
InChIKeyYFGDSBANYUGSCA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.62
Rot. Bonds3

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

[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol (PubChem CID 130609951) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol
PubChem CID130609951
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol
SMILESOCC1(Cc2cnns2)CCCO1
InChIInChI=1S/C8H12N2O2S/c11-6-8(2-1-3-12-8)4-7-5-9-10-13-7/h5,11H,1-4,6H2
InChIKeyYFGDSBANYUGSCA-UHFFFAOYSA-N
XLogP0.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol?
The IUPAC name of [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol (CID 130609951) is [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol?
The canonical SMILES for [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol is OCC1(Cc2cnns2)CCCO1.
What is the InChIKey of [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol?
The InChIKey is YFGDSBANYUGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-6-8(2-1-3-12-8)4-7-5-9-10-13-7/h5,11H,1-4,6H2.
What are the key properties of [2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol?
[2-(thiadiazol-5-ylmethyl)oxolan-2-yl]methanol has a molecular weight of 200.26 g/mol, XLogP of 0.62, 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)oxolan-2-yl]methanol is sourced from PubChem (CID 130609951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).