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

C11H16N2O2S — CID 174554546

IUPACtert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1cncs1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-5-4-8(13)9-6-12-7-16-9/h6-8H,4-5H2,1-3H3
InChIKeyFTHVYMNSQYVJDY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.83
Rot. Bonds1

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

tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate (PubChem CID 174554546) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
PubChem CID174554546
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nametert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1c1cncs1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-5-4-8(13)9-6-12-7-16-9/h6-8H,4-5H2,1-3H3
InChIKeyFTHVYMNSQYVJDY-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(5-bromo-1,3-thiazol-2-yl)azetidine-1-carboxylate
CID 175877765
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl 2-(1,3-thiazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 71631448
tert-butyl (2S)-2-[[(S)-1,3-thiazol-5-ylmethylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97173124
tert-butyl (2R)-2-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167526
tert-butyl 2-[2-(1,3-thiazol-5-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244411
tert-butyl (2S)-2-[[(R)-1,3-thiazol-5-ylmethylsulfinyl]methyl]piperidine-1-carboxylate
CID 97173854
tert-butyl 2-(2,6-dichloro-4-pyridinyl)azetidine-1-carboxylate
CID 170323359
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl (2R)-2-(1,3-thiazol-5-ylmethylsulfonylmethyl)piperidine-1-carboxylate
CID 97173735
tert-butyl 2-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]azepane-1-carboxylate
CID 104865992
tert-butyl 4-[(S)-1,3-thiazol-5-ylmethylsulfinyl]piperidine-1-carboxylate
CID 97171133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate (CID 174554546) is tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1c1cncs1.
What is the InChIKey of tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate?
The InChIKey is FTHVYMNSQYVJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-5-4-8(13)9-6-12-7-16-9/h6-8H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate?
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate is sourced from PubChem (CID 174554546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).