tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate

C12H20N2O2S — CID 70895317

IUPACtert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)Cc1nccs1
InChIInChI=1S/C12H20N2O2S/c1-5-14(8-10-13-6-7-17-10)9-11(15)16-12(2,3)4/h6-7H,5,8-9H2,1-4H3
InChIKeyROQAUBUCGAKYNZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate

tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate (PubChem CID 70895317) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate
PubChem CID70895317
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nametert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)Cc1nccs1
InChIInChI=1S/C12H20N2O2S/c1-5-14(8-10-13-6-7-17-10)9-11(15)16-12(2,3)4/h6-7H,5,8-9H2,1-4H3
InChIKeyROQAUBUCGAKYNZ-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate (CID 70895317) is tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate is CCN(CC(=O)OC(C)(C)C)Cc1nccs1.
What is the InChIKey of tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The InChIKey is ROQAUBUCGAKYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(8-10-13-6-7-17-10)9-11(15)16-12(2,3)4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate?
tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate has a molecular weight of 256.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetate is sourced from PubChem (CID 70895317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).