ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate

C12H19N3O4S — CID 62792408

IUPACethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1sc(N)nc1C
InChIInChI=1S/C12H19N3O4S/c1-4-19-9(16)7-15(5-6-18-3)11(17)10-8(2)14-12(13)20-10/h4-7H2,1-3H3,(H2,13,14)
InChIKeyLVBGCOSPXKAPAP-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.69
Rot. Bonds7

About ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate (PubChem CID 62792408) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
PubChem CID62792408
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1sc(N)nc1C
InChIInChI=1S/C12H19N3O4S/c1-4-19-9(16)7-15(5-6-18-3)11(17)10-8(2)14-12(13)20-10/h4-7H2,1-3H3,(H2,13,14)
InChIKeyLVBGCOSPXKAPAP-UHFFFAOYSA-N
XLogP0.69
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate (CID 62792408) is ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1sc(N)nc1C.
What is the InChIKey of ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is LVBGCOSPXKAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-19-9(16)7-15(5-6-18-3)11(17)10-8(2)14-12(13)20-10/h4-7H2,1-3H3,(H2,13,14).
What are the key properties of ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 301.37 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 62792408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).