ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

C9H14N2O3S — CID 106380682

IUPACethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-3-14-8(12)6(2)10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyWYNAKYJNMDZBJZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.48
Rot. Bonds5

About ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (PubChem CID 106380682) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
PubChem CID106380682
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Nameethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-3-14-8(12)6(2)10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyWYNAKYJNMDZBJZ-UHFFFAOYSA-N
XLogP0.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (CID 106380682) is ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The InChIKey is WYNAKYJNMDZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-14-8(12)6(2)10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate has a molecular weight of 230.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106380682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).