ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate

C12H18N2O4S — CID 80575297

IUPACethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C12H18N2O4S/c1-3-17-10(15)5-6-13-12-14-9(8-19-12)7-11(16)18-4-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYFVZRRDDJOSKO-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.61
Rot. Bonds8

About ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate

ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 80575297) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
PubChem CID80575297
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C12H18N2O4S/c1-3-17-10(15)5-6-13-12-14-9(8-19-12)7-11(16)18-4-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYFVZRRDDJOSKO-UHFFFAOYSA-N
XLogP1.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
ethyl 2-[2-(3-ethylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 114248792
ethyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 114188389
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106424088
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate (CID 80575297) is ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate is CCOC(=O)CCNc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is KYFVZRRDDJOSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-17-10(15)5-6-13-12-14-9(8-19-12)7-11(16)18-4-2/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate?
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 286.35 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 80575297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).