tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate

C10H16N4O2S — CID 155943867

IUPACtert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2nsc(N)n2)C1
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)16-9(15)14-4-6(5-14)7-12-8(11)17-13-7/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyHZIRHJMOLMHPOZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate

tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate (PubChem CID 155943867) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
PubChem CID155943867
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Nametert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2nsc(N)n2)C1
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)16-9(15)14-4-6(5-14)7-12-8(11)17-13-7/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyHZIRHJMOLMHPOZ-UHFFFAOYSA-N
XLogP1.45
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl 3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]azetidine-1-carboxylate
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tert-butyl 3-(3-chlorothieno[3,2-c]pyridazin-6-yl)azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate (CID 155943867) is tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2nsc(N)n2)C1.
What is the InChIKey of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate?
The InChIKey is HZIRHJMOLMHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(2,3)16-9(15)14-4-6(5-14)7-12-8(11)17-13-7/h6H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate?
tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate is sourced from PubChem (CID 155943867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).