ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate

C16H20N2O2S — CID 104579188

IUPACethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(C)c1nc(C)cs1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-4-20-16(19)14(13-8-6-5-7-9-13)18-12(3)15-17-11(2)10-21-15/h5-10,12,14,18H,4H2,1-3H3
InChIKeyLAUSJTDXQCVVOF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.41
Rot. Bonds6

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

ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate (PubChem CID 104579188) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
PubChem CID104579188
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate
SMILESCCOC(=O)C(NC(C)c1nc(C)cs1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-4-20-16(19)14(13-8-6-5-7-9-13)18-12(3)15-17-11(2)10-21-15/h5-10,12,14,18H,4H2,1-3H3
InChIKeyLAUSJTDXQCVVOF-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
ethyl (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-phenylpropanoate
CID 8024886
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
ethyl 2-(3-chloroanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770636
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
CID 62111309
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
CID 103950866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate (CID 104579188) is ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate is CCOC(=O)C(NC(C)c1nc(C)cs1)c1ccccc1.
What is the InChIKey of ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate?
The InChIKey is LAUSJTDXQCVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-20-16(19)14(13-8-6-5-7-9-13)18-12(3)15-17-11(2)10-21-15/h5-10,12,14,18H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate?
ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate has a molecular weight of 304.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-phenylacetate is sourced from PubChem (CID 104579188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).