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

C13H21N3O4S — CID 66388898

IUPACethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C13H21N3O4S/c1-4-20-11(17)7-16(5-6-19-3)13(18)10-8-21-12(15-10)9(2)14/h8-9H,4-7,14H2,1-3H3
InChIKeyVNJRJPLDZNIKPD-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.81
Rot. Bonds8

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

ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate (PubChem CID 66388898) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
PubChem CID66388898
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nameethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C13H21N3O4S/c1-4-20-11(17)7-16(5-6-19-3)13(18)10-8-21-12(15-10)9(2)14/h8-9H,4-7,14H2,1-3H3
InChIKeyVNJRJPLDZNIKPD-UHFFFAOYSA-N
XLogP0.81
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 82949262
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390440
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
2-(1-aminoethyl)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 113468670
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
2-(1-aminoethyl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 66389184
ethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-(2-methoxyethyl)amino]acetate
CID 62792408
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
ethyl 2-[[(4-ethoxy-4-oxobutanoyl)-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3876939
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate (CID 66388898) is ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1csc(C(C)N)n1.
What is the InChIKey of ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is VNJRJPLDZNIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-20-11(17)7-16(5-6-19-3)13(18)10-8-21-12(15-10)9(2)14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 315.40 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 66388898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).