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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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 102610681
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
CID 115661266
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 102656577
2-(3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17014491
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
CID 107035956
N-(2,6-dibromo-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655724
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 102610864
2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 102656073
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734

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).