methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate

C13H22N2O2S — CID 107040655

IUPACmethyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCC(CC)CNc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C13H22N2O2S/c1-4-10(5-2)8-14-13-15-11(9-18-13)6-7-12(16)17-3/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyOKRGZXZUUYARDM-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.10
Rot. Bonds8

About methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 107040655) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID107040655
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCC(CC)CNc1nc(CCC(=O)OC)cs1
InChIInChI=1S/C13H22N2O2S/c1-4-10(5-2)8-14-13-15-11(9-18-13)6-7-12(16)17-3/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyOKRGZXZUUYARDM-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
methyl 3-[2-(2,3-dimethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040453
ethyl 3-[2-(2-ethylhexylamino)-1,3-thiazol-4-yl]propanoate
CID 107818852
methyl 3-[2-(3-methylpentan-3-ylamino)-1,3-thiazol-4-yl]propanoate
CID 106331944
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
methyl 3-[2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazol-4-yl]propanoate
CID 107040045
methyl 3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 107040580
methyl 3-[2-[(5-amino-5-oxopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114162847
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
methyl 3-[2-(3-pyrazol-1-ylpropylamino)-1,3-thiazol-4-yl]propanoate
CID 107040608
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate (CID 107040655) is methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate is CCC(CC)CNc1nc(CCC(=O)OC)cs1.
What is the InChIKey of methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is OKRGZXZUUYARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10(5-2)8-14-13-15-11(9-18-13)6-7-12(16)17-3/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 270.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107040655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).