tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate

C14H23N3O2S — CID 97103228

IUPACtert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
SMILESCc1ncc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-9(12-6-15-10(2)20-12)16-11-7-17(8-11)13(18)19-14(3,4)5/h6,9,11,16H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyVZUBLZBIDGEAEG-SECBINFHSA-N
MW297.42 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate

tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate (PubChem CID 97103228) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
PubChem CID97103228
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nametert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
SMILESCc1ncc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)s1
InChIInChI=1S/C14H23N3O2S/c1-9(12-6-15-10(2)20-12)16-11-7-17(8-11)13(18)19-14(3,4)5/h6,9,11,16H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyVZUBLZBIDGEAEG-SECBINFHSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]cyclohexyl]carbamate
CID 97103222
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tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
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tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
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tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
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tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
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tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
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tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
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tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl (3S)-3-[[(1R)-1-(5-methyl-1-propan-2-ylpyrazol-4-yl)ethyl]amino]pyrrolidine-1-carboxylate
CID 99833211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate (CID 97103228) is tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate is Cc1ncc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)s1.
What is the InChIKey of tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate?
The InChIKey is VZUBLZBIDGEAEG-SECBINFHSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(12-6-15-10(2)20-12)16-11-7-17(8-11)13(18)19-14(3,4)5/h6,9,11,16H,7-8H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 97103228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).