methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate

C10H17N3O2S — CID 120899079

IUPACmethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1cnc(N)s1
InChIInChI=1S/C10H17N3O2S/c1-3-13(5-4-9(14)15-2)7-8-6-12-10(11)16-8/h6H,3-5,7H2,1-2H3,(H2,11,12)
InChIKeyWRDOZIMNAQYDTF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.11
Rot. Bonds6

About methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate

methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate (PubChem CID 120899079) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
PubChem CID120899079
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1cnc(N)s1
InChIInChI=1S/C10H17N3O2S/c1-3-13(5-4-9(14)15-2)7-8-6-12-10(11)16-8/h6H,3-5,7H2,1-2H3,(H2,11,12)
InChIKeyWRDOZIMNAQYDTF-UHFFFAOYSA-N
XLogP1.11
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate with MolForge

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Related Compounds

5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753
methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
CID 103055309
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
ethyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methylpropyl)amino]acetate;hydrochloride
CID 120898778
methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(1-phenylpropyl)amino]acetate
CID 120901542
5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771856
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate (CID 120899079) is methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate is CCN(CCC(=O)OC)Cc1cnc(N)s1.
What is the InChIKey of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate?
The InChIKey is WRDOZIMNAQYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13(5-4-9(14)15-2)7-8-6-12-10(11)16-8/h6H,3-5,7H2,1-2H3,(H2,11,12).
What are the key properties of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate?
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate has a molecular weight of 243.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate is sourced from PubChem (CID 120899079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).