ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate

C9H14N2O2S — CID 79421858

IUPACethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1nccs1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)7-11(2)6-8-10-4-5-14-8/h4-5H,3,6-7H2,1-2H3
InChIKeyLSIJUIKCHYVOKI-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate

ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate (PubChem CID 79421858) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
PubChem CID79421858
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1nccs1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)7-11(2)6-8-10-4-5-14-8/h4-5H,3,6-7H2,1-2H3
InChIKeyLSIJUIKCHYVOKI-UHFFFAOYSA-N
XLogP1.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetate
CID 62013535
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide
CID 126811732
2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
CID 79421779
ethyl 2-[methyl(1H-pyrrol-2-ylmethyl)amino]acetate
CID 115257431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate (CID 79421858) is ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate is CCOC(=O)CN(C)Cc1nccs1.
What is the InChIKey of ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate?
The InChIKey is LSIJUIKCHYVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-13-9(12)7-11(2)6-8-10-4-5-14-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate?
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate has a molecular weight of 214.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate is sourced from PubChem (CID 79421858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).