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

C10H16N2O2S — CID 78993755

IUPACethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(C)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2O2S/c1-4-14-10(13)6-12(3)5-9-11-8(2)7-15-9/h7H,4-6H2,1-3H3
InChIKeyPMBAOKSCLDBWMF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.45
Rot. Bonds5

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

ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate (PubChem CID 78993755) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
PubChem CID78993755
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
SMILESCCOC(=O)CN(C)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2O2S/c1-4-14-10(13)6-12(3)5-9-11-8(2)7-15-9/h7H,4-6H2,1-3H3
InChIKeyPMBAOKSCLDBWMF-UHFFFAOYSA-N
XLogP1.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
CID 111427238
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetate
CID 62013535
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770
ethyl 2-[[3-hydroxypropyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 126802381
ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 67269937
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
CID 62011847
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate (CID 78993755) is ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate is CCOC(=O)CN(C)Cc1nc(C)cs1.
What is the InChIKey of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate?
The InChIKey is PMBAOKSCLDBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-14-10(13)6-12(3)5-9-11-8(2)7-15-9/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate?
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.45, 5 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)methyl]amino]acetate is sourced from PubChem (CID 78993755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).