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

C10H16N2O3S — CID 106380931

IUPACethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(13)4-7(2)11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyXWTSWQIGXULPMH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.87
Rot. Bonds6

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

ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (PubChem CID 106380931) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
PubChem CID106380931
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nameethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(13)4-7(2)11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyXWTSWQIGXULPMH-UHFFFAOYSA-N
XLogP0.87
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The IUPAC name of ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (CID 106380931) is ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The canonical SMILES for ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is CCOC(=O)CC(C)NCc1csc(=O)[nH]1.
What is the InChIKey of ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The InChIKey is XWTSWQIGXULPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-15-9(13)4-7(2)11-5-8-6-16-10(14)12-8/h6-7,11H,3-5H2,1-2H3,(H,12,14).
What are the key properties of ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate has a molecular weight of 244.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is sourced from PubChem (CID 106380931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).