ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate

C13H21NO3S — CID 103485371

IUPACethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(C(C)(C)OCC)n1
InChIInChI=1S/C13H21NO3S/c1-5-16-11(15)8-7-10-9-18-12(14-10)13(3,4)17-6-2/h9H,5-8H2,1-4H3
InChIKeyHFFIMOQZWDPJDS-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.91
Rot. Bonds7

About ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485371) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485371
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Nameethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(C(C)(C)OCC)n1
InChIInChI=1S/C13H21NO3S/c1-5-16-11(15)8-7-10-9-18-12(14-10)13(3,4)17-6-2/h9H,5-8H2,1-4H3
InChIKeyHFFIMOQZWDPJDS-UHFFFAOYSA-N
XLogP2.91
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103487703
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate (CID 103485371) is ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(C(C)(C)OCC)n1.
What is the InChIKey of ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is HFFIMOQZWDPJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-16-11(15)8-7-10-9-18-12(14-10)13(3,4)17-6-2/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 271.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).