tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate

C13H22N2O2S — CID 71885422

IUPACtert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate
SMILESCCc1nc(CN(C)CC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C13H22N2O2S/c1-6-11-14-10(9-18-11)7-15(5)8-12(16)17-13(2,3)4/h9H,6-8H2,1-5H3
InChIKeyDAGSCRFTQWNWJI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.48
Rot. Bonds5

About tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate

tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate (PubChem CID 71885422) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate
PubChem CID71885422
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nametert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate
SMILESCCc1nc(CN(C)CC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C13H22N2O2S/c1-6-11-14-10(9-18-11)7-15(5)8-12(16)17-13(2,3)4/h9H,6-8H2,1-5H3
InChIKeyDAGSCRFTQWNWJI-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate (CID 71885422) is tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate is CCc1nc(CN(C)CC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate?
The InChIKey is DAGSCRFTQWNWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-6-11-14-10(9-18-11)7-15(5)8-12(16)17-13(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate?
tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate has a molecular weight of 270.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetate is sourced from PubChem (CID 71885422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).