methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate

C10H16N2O2S — CID 106035988

IUPACmethyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-8-12-9(7-15-8)3-5-11-6-4-10(13)14-2/h7,11H,3-6H2,1-2H3
InChIKeyNTTFMFZYQIBVFK-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.15
Rot. Bonds6

About methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate

methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate (PubChem CID 106035988) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
PubChem CID106035988
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-8-12-9(7-15-8)3-5-11-6-4-10(13)14-2/h7,11H,3-6H2,1-2H3
InChIKeyNTTFMFZYQIBVFK-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]heptanoate
CID 111932078
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate (CID 106035988) is methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate is COC(=O)CCNCCc1csc(C)n1.
What is the InChIKey of methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The InChIKey is NTTFMFZYQIBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-12-9(7-15-8)3-5-11-6-4-10(13)14-2/h7,11H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate is sourced from PubChem (CID 106035988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).