2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

C9H14N4O2S — CID 102656625

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)COC2(C)CNC2)n1
InChIInChI=1S/C9H14N4O2S/c1-6-11-8(16-13-6)12-7(14)3-15-9(2)4-10-5-9/h10H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyBFMYCXXACQMUAY-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.16
Rot. Bonds4

About 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 102656625) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID102656625
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)COC2(C)CNC2)n1
InChIInChI=1S/C9H14N4O2S/c1-6-11-8(16-13-6)12-7(14)3-15-9(2)4-10-5-9/h10H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyBFMYCXXACQMUAY-UHFFFAOYSA-N
XLogP0.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 102656625) is 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1nsc(NC(=O)COC2(C)CNC2)n1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is BFMYCXXACQMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-6-11-8(16-13-6)12-7(14)3-15-9(2)4-10-5-9/h10H,3-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 242.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 102656625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).