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

C11H16N2O3S — CID 70166226

IUPACtert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccns2)C1
InChIInChI=1S/C11H16N2O3S/c1-10(2,3)16-9(14)13-6-11(15,7-13)8-4-5-12-17-8/h4-5,15H,6-7H2,1-3H3
InChIKeyBMHMOVAPNNPANP-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.58
Rot. Bonds1

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

tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate (PubChem CID 70166226) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate
PubChem CID70166226
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccns2)C1
InChIInChI=1S/C11H16N2O3S/c1-10(2,3)16-9(14)13-6-11(15,7-13)8-4-5-12-17-8/h4-5,15H,6-7H2,1-3H3
InChIKeyBMHMOVAPNNPANP-UHFFFAOYSA-N
XLogP1.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate (CID 70166226) is tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)(c2ccns2)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate?
The InChIKey is BMHMOVAPNNPANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-10(2,3)16-9(14)13-6-11(15,7-13)8-4-5-12-17-8/h4-5,15H,6-7H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylate is sourced from PubChem (CID 70166226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).