2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide

C6H9N5OS — CID 114912417

IUPAC2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(CC1CNC1)Nc1nnns1
InChIInChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12)
InChIKeyZNMKUUHVVZRQSH-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.52
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide

2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide (PubChem CID 114912417) has the molecular formula C6H9N5OS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
PubChem CID114912417
Molecular FormulaC6H9N5OS
Molecular Weight199.24 g/mol
Exact Mass199.05
IUPAC Name2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(CC1CNC1)Nc1nnns1
InChIInChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12)
InChIKeyZNMKUUHVVZRQSH-UHFFFAOYSA-N
XLogP-0.52
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide (CID 114912417) is 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide is O=C(CC1CNC1)Nc1nnns1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is ZNMKUUHVVZRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12).
What are the key properties of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 199.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 114912417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).