ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate

C14H22N2O3S — CID 80575254

IUPACethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H22N2O3S/c1-3-16(9-12-6-5-7-19-12)14-15-11(10-20-14)8-13(17)18-4-2/h10,12H,3-9H2,1-2H3
InChIKeyFGHZOZLUIXNHFF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.25
Rot. Bonds7

About ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575254) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575254
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)CC2CCCO2)n1
InChIInChI=1S/C14H22N2O3S/c1-3-16(9-12-6-5-7-19-12)14-15-11(10-20-14)8-13(17)18-4-2/h10,12H,3-9H2,1-2H3
InChIKeyFGHZOZLUIXNHFF-UHFFFAOYSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 42903180
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80575254) is ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(CC)CC2CCCO2)n1.
What is the InChIKey of ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FGHZOZLUIXNHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16(9-12-6-5-7-19-12)14-15-11(10-20-14)8-13(17)18-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 298.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).