ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate

C9H14N2O2S — CID 62007331

IUPACethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1nc(C)cs1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)5-11(3)9-10-7(2)6-14-9/h6H,4-5H2,1-3H3
InChIKeyCFLKTXWYBXPWKJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.45
Rot. Bonds4

About ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate

ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 62007331) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
PubChem CID62007331
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1nc(C)cs1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)5-11(3)9-10-7(2)6-14-9/h6H,4-5H2,1-3H3
InChIKeyCFLKTXWYBXPWKJ-UHFFFAOYSA-N
XLogP1.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
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
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
CID 86792918
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate (CID 62007331) is ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)CN(C)c1nc(C)cs1.
What is the InChIKey of ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is CFLKTXWYBXPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-8(12)5-11(3)9-10-7(2)6-14-9/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 214.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 62007331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).