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

C13H20N2O2S — CID 15186149

IUPACtert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
SMILESCc1cc(C2CCCN2C(=O)OC(C)(C)C)sn1
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(18-14-9)10-6-5-7-15(10)12(16)17-13(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyMNOSYWQPXIUFFU-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.52
Rot. Bonds1

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

tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 15186149) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID15186149
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
SMILESCc1cc(C2CCCN2C(=O)OC(C)(C)C)sn1
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(18-14-9)10-6-5-7-15(10)12(16)17-13(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyMNOSYWQPXIUFFU-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate (CID 15186149) is tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate is Cc1cc(C2CCCN2C(=O)OC(C)(C)C)sn1.
What is the InChIKey of tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is MNOSYWQPXIUFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-8-11(18-14-9)10-6-5-7-15(10)12(16)17-13(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15186149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).