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

C10H16N2O2S — CID 43723777

IUPACmethyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-6(9-5-15-8(3)12-9)11-7(2)10(13)14-4/h5-7,11H,1-4H3/t6?,7-/m0/s1
InChIKeyOUBNDAQGOAAALN-MLWJPKLSSA-N
MW228.32 g/mol
LogP1.66
Rot. Bonds4

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

methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate (PubChem CID 43723777) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
PubChem CID43723777
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-6(9-5-15-8(3)12-9)11-7(2)10(13)14-4/h5-7,11H,1-4H3/t6?,7-/m0/s1
InChIKeyOUBNDAQGOAAALN-MLWJPKLSSA-N
XLogP1.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
CID 43670294
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate (CID 43723777) is methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate is COC(=O)[C@H](C)NC(C)c1csc(C)n1.
What is the InChIKey of methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The InChIKey is OUBNDAQGOAAALN-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(9-5-15-8(3)12-9)11-7(2)10(13)14-4/h5-7,11H,1-4H3/t6?,7-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate?
methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate is sourced from PubChem (CID 43723777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).