ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate

C12H16N4O3S — CID 106424088

IUPACethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H16N4O3S/c1-3-18-11(17)6-9-7-20-12(15-9)13-5-4-10-14-8(2)16-19-10/h7H,3-6H2,1-2H3,(H,13,15)
InChIKeyVQRGRRKFBNIBRH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.59
Rot. Bonds7

About ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 106424088) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID106424088
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Nameethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H16N4O3S/c1-3-18-11(17)6-9-7-20-12(15-9)13-5-4-10-14-8(2)16-19-10/h7H,3-6H2,1-2H3,(H,13,15)
InChIKeyVQRGRRKFBNIBRH-UHFFFAOYSA-N
XLogP1.59
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
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-(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-(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 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate (CID 106424088) is ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCCc2nc(C)no2)n1.
What is the InChIKey of ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VQRGRRKFBNIBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-18-11(17)6-9-7-20-12(15-9)13-5-4-10-14-8(2)16-19-10/h7H,3-6H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 106424088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).