methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate

C10H16N2O2S — CID 60982151

IUPACmethyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCCc1ncc(CNCCC(=O)OC)s1
InChIInChI=1S/C10H16N2O2S/c1-3-9-12-7-8(15-9)6-11-5-4-10(13)14-2/h7,11H,3-6H2,1-2H3
InChIKeyPHPBMPUTAPAIKI-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.36
Rot. Bonds6

About methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate

methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate (PubChem CID 60982151) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
PubChem CID60982151
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCCc1ncc(CNCCC(=O)OC)s1
InChIInChI=1S/C10H16N2O2S/c1-3-9-12-7-8(15-9)6-11-5-4-10(13)14-2/h7,11H,3-6H2,1-2H3
InChIKeyPHPBMPUTAPAIKI-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate 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-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115684306
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
CID 60983148
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
5-[[(3-methoxy-3-oxopropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103240357
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
methyl 3-[(5-methylthiophen-2-yl)methylamino]propanoate
CID 43139690

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate?
The IUPAC name of methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate (CID 60982151) is methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate is CCc1ncc(CNCCC(=O)OC)s1.
What is the InChIKey of methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate?
The InChIKey is PHPBMPUTAPAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-9-12-7-8(15-9)6-11-5-4-10(13)14-2/h7,11H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate?
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate is sourced from PubChem (CID 60982151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).