[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol

C7H11N3OS — CID 130987317

IUPAC[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1(Cc2cnns2)CNC1
InChIInChI=1S/C7H11N3OS/c11-5-7(3-8-4-7)1-6-2-9-10-12-6/h2,8,11H,1,3-5H2
InChIKeyLUEXJVCVVQCEKY-UHFFFAOYSA-N
MW185.25 g/mol
LogP-0.34
Rot. Bonds3

About [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol

[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol (PubChem CID 130987317) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol
PubChem CID130987317
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1(Cc2cnns2)CNC1
InChIInChI=1S/C7H11N3OS/c11-5-7(3-8-4-7)1-6-2-9-10-12-6/h2,8,11H,1,3-5H2
InChIKeyLUEXJVCVVQCEKY-UHFFFAOYSA-N
XLogP-0.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol?
The IUPAC name of [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol (CID 130987317) is [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol?
The canonical SMILES for [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol is OCC1(Cc2cnns2)CNC1.
What is the InChIKey of [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol?
The InChIKey is LUEXJVCVVQCEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c11-5-7(3-8-4-7)1-6-2-9-10-12-6/h2,8,11H,1,3-5H2.
What are the key properties of [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol?
[3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol has a molecular weight of 185.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiadiazol-5-ylmethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 130987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).