2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane

C10H17BrN2O3S — CID 162763113

IUPAC2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane
SMILESCC.CCOC(c1nc(Br)cs1)C(N)C(=O)O
InChIInChI=1S/C8H11BrN2O3S.C2H6/c1-2-14-6(5(10)8(12)13)7-11-4(9)3-15-7;1-2/h3,5-6H,2,10H2,1H3,(H,12,13);1-2H3
InChIKeyHAPDJVAWUCAYCA-UHFFFAOYSA-N
MW325.23 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane

2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane (PubChem CID 162763113) has the molecular formula C10H17BrN2O3S and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane.

Molecular Properties

Compound Name2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane
PubChem CID162763113
Molecular FormulaC10H17BrN2O3S
Molecular Weight325.23 g/mol
Exact Mass324.01
IUPAC Name2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane
SMILESCC.CCOC(c1nc(Br)cs1)C(N)C(=O)O
InChIInChI=1S/C8H11BrN2O3S.C2H6/c1-2-14-6(5(10)8(12)13)7-11-4(9)3-15-7;1-2/h3,5-6H,2,10H2,1H3,(H,12,13);1-2H3
InChIKeyHAPDJVAWUCAYCA-UHFFFAOYSA-N
XLogP2.42
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane?
The IUPAC name of 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane (CID 162763113) is 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane.
What is the SMILES notation for 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane?
The canonical SMILES for 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane is CC.CCOC(c1nc(Br)cs1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane?
The InChIKey is HAPDJVAWUCAYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S.C2H6/c1-2-14-6(5(10)8(12)13)7-11-4(9)3-15-7;1-2/h3,5-6H,2,10H2,1H3,(H,12,13);1-2H3.
What are the key properties of 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane?
2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane has a molecular weight of 325.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxypropanoic acid;ethane is sourced from PubChem (CID 162763113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).