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

C9H14N2O2S — CID 60812256

IUPACethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)5-10-4-8-6-14-7(2)11-8/h6,10H,3-5H2,1-2H3
InChIKeyAKXZZJFDDQHTJM-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.10
Rot. Bonds5

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

ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate (PubChem CID 60812256) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
PubChem CID60812256
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-13-9(12)5-10-4-8-6-14-7(2)11-8/h6,10H,3-5H2,1-2H3
InChIKeyAKXZZJFDDQHTJM-UHFFFAOYSA-N
XLogP1.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]acetate
CID 47257401
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]acetate
CID 60811261
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate (CID 60812256) is ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate is CCOC(=O)CNCc1csc(C)n1.
What is the InChIKey of ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate?
The InChIKey is AKXZZJFDDQHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-13-9(12)5-10-4-8-6-14-7(2)11-8/h6,10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate?
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate has a molecular weight of 214.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate is sourced from PubChem (CID 60812256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).