tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate

C12H18N2O3S — CID 71629728

IUPACtert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(15)14-6-4-9(8-14)16-10-13-5-7-18-10/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMPIHHWLEJILQRS-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate

tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate (PubChem CID 71629728) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate
PubChem CID71629728
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)17-11(15)14-6-4-9(8-14)16-10-13-5-7-18-10/h5,7,9H,4,6,8H2,1-3H3
InChIKeyMPIHHWLEJILQRS-UHFFFAOYSA-N
XLogP2.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 121183553
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CID 137630848
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CID 10535971
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CID 15599685
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CID 21906099
CID 21906099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate (CID 71629728) is tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nccs2)C1.
What is the InChIKey of tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate?
The InChIKey is MPIHHWLEJILQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(15)14-6-4-9(8-14)16-10-13-5-7-18-10/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71629728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).