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

C9H14N2O2S — CID 94256912

IUPACmethyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(CCN)n1
InChIInChI=1S/C9H14N2O2S/c1-13-9(12)3-2-7-6-14-8(11-7)4-5-10/h6H,2-5,10H2,1H3
InChIKeyLWAFLUGANAMRQU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.75
Rot. Bonds5

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

methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 94256912) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
PubChem CID94256912
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(CCN)n1
InChIInChI=1S/C9H14N2O2S/c1-13-9(12)3-2-7-6-14-8(11-7)4-5-10/h6H,2-5,10H2,1H3
InChIKeyLWAFLUGANAMRQU-UHFFFAOYSA-N
XLogP0.75
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 3-[2-(propoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 107039684
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673
methyl 6-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 120617892
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039759
methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 107039676
methyl 3-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]propanoate
CID 107039787
methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
methyl 3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 107040580
methyl 3-[2-[(5-amino-5-oxopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114162847

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate (CID 94256912) is methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(CCN)n1.
What is the InChIKey of methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is LWAFLUGANAMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-9(12)3-2-7-6-14-8(11-7)4-5-10/h6H,2-5,10H2,1H3.
What are the key properties of methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 214.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 94256912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).