ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide

C13H15BrN2O3S — CID 56832420

IUPACethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
SMILESBr.CCOC(=O)COc1ccccc1-c1csc(N)n1
InChIInChI=1S/C13H14N2O3S.BrH/c1-2-17-12(16)7-18-11-6-4-3-5-9(11)10-8-19-13(14)15-10;/h3-6,8H,2,7H2,1H3,(H2,14,15);1H
InChIKeyQSZSINMUTOEXBU-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide

ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide (PubChem CID 56832420) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
PubChem CID56832420
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Nameethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
SMILESBr.CCOC(=O)COc1ccccc1-c1csc(N)n1
InChIInChI=1S/C13H14N2O3S.BrH/c1-2-17-12(16)7-18-11-6-4-3-5-9(11)10-8-19-13(14)15-10;/h3-6,8H,2,7H2,1H3,(H2,14,15);1H
InChIKeyQSZSINMUTOEXBU-UHFFFAOYSA-N
XLogP2.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide?
The IUPAC name of ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide (CID 56832420) is ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide.
What is the SMILES notation for ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide?
The canonical SMILES for ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide is Br.CCOC(=O)COc1ccccc1-c1csc(N)n1.
What is the InChIKey of ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide?
The InChIKey is QSZSINMUTOEXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S.BrH/c1-2-17-12(16)7-18-11-6-4-3-5-9(11)10-8-19-13(14)15-10;/h3-6,8H,2,7H2,1H3,(H2,14,15);1H.
What are the key properties of ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide?
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide has a molecular weight of 359.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide is sourced from PubChem (CID 56832420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).