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

C11H17N3O2S — CID 154577685

IUPACtert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cnc(N)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-7(6-14)8-4-13-9(12)17-8/h4,7H,5-6H2,1-3H3,(H2,12,13)
InChIKeyNVJDUHRHTJVTHE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.06
Rot. Bonds1

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

tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate (PubChem CID 154577685) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate
PubChem CID154577685
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Nametert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2cnc(N)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-7(6-14)8-4-13-9(12)17-8/h4,7H,5-6H2,1-3H3,(H2,12,13)
InChIKeyNVJDUHRHTJVTHE-UHFFFAOYSA-N
XLogP2.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate (CID 154577685) is tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2cnc(N)s2)C1.
What is the InChIKey of tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate?
The InChIKey is NVJDUHRHTJVTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-7(6-14)8-4-13-9(12)17-8/h4,7H,5-6H2,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate?
tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-amino-1,3-thiazol-5-yl)azetidine-1-carboxylate is sourced from PubChem (CID 154577685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).