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

C16H20N2O2S — CID 82316835

IUPACethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-3-12-5-7-13(8-6-12)14-11-21-16(18-14)17-10-9-15(19)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyJIPKMCGOOREMHS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.74
Rot. Bonds7

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

ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 82316835) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
PubChem CID82316835
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C16H20N2O2S/c1-3-12-5-7-13(8-6-12)14-11-21-16(18-14)17-10-9-15(19)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyJIPKMCGOOREMHS-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699309
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate (CID 82316835) is ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate is CCOC(=O)CCNc1nc(-c2ccc(CC)cc2)cs1.
What is the InChIKey of ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is JIPKMCGOOREMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-12-5-7-13(8-6-12)14-11-21-16(18-14)17-10-9-15(19)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate?
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 304.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 82316835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).