ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate

C12H20N2O2S — CID 55176581

IUPACethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-5-16-10(15)8-13-6-9-7-14-11(17-9)12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyBKVIPSBMINWEGN-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.09
Rot. Bonds5

About ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate

ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate (PubChem CID 55176581) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate
PubChem CID55176581
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-5-16-10(15)8-13-6-9-7-14-11(17-9)12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyBKVIPSBMINWEGN-UHFFFAOYSA-N
XLogP2.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate (CID 55176581) is ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate is CCOC(=O)CNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate?
The InChIKey is BKVIPSBMINWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-16-10(15)8-13-6-9-7-14-11(17-9)12(2,3)4/h7,13H,5-6,8H2,1-4H3.
What are the key properties of ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate?
ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate has a molecular weight of 256.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]acetate is sourced from PubChem (CID 55176581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).