ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate

C14H16N2O2S — CID 107380235

IUPACethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)7-12-9-19-14(16-12)11-5-3-4-10(6-11)8-15/h3-6,9H,2,7-8,15H2,1H3
InChIKeyMAQQKKGLSCKJIJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds5

About ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 107380235) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID107380235
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13(17)7-12-9-19-14(16-12)11-5-3-4-10(6-11)8-15/h3-6,9H,2,7-8,15H2,1H3
InChIKeyMAQQKKGLSCKJIJ-UHFFFAOYSA-N
XLogP2.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
ethyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913066
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 110450412
ethyl 2-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602656
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate (CID 107380235) is ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cccc(CN)c2)n1.
What is the InChIKey of ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is MAQQKKGLSCKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-13(17)7-12-9-19-14(16-12)11-5-3-4-10(6-11)8-15/h3-6,9H,2,7-8,15H2,1H3.
What are the key properties of ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 276.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107380235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).