2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide

C5H9BrN2OS — CID 117067483

IUPAC2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide
SMILESBr.CCC1SC(N)=NC1=O
InChIInChI=1S/C5H8N2OS.BrH/c1-2-3-4(8)7-5(6)9-3;/h3H,2H2,1H3,(H2,6,7,8);1H
InChIKeyXIHSXDURMRUWCY-UHFFFAOYSA-N
MW225.11 g/mol
LogP0.93
Rot. Bonds1

About 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide

2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide (PubChem CID 117067483) has the molecular formula C5H9BrN2OS and a molecular weight of 225.11 g/mol. Its IUPAC name is 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide.

Molecular Properties

Compound Name2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide
PubChem CID117067483
Molecular FormulaC5H9BrN2OS
Molecular Weight225.11 g/mol
Exact Mass223.96
IUPAC Name2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide
SMILESBr.CCC1SC(N)=NC1=O
InChIInChI=1S/C5H8N2OS.BrH/c1-2-3-4(8)7-5(6)9-3;/h3H,2H2,1H3,(H2,6,7,8);1H
InChIKeyXIHSXDURMRUWCY-UHFFFAOYSA-N
XLogP0.93
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-ethyl-1,3-thiazol-4-one
CID 408317
2-amino-5-methyl-1,3-thiazol-4(5H)-one
CID 221779
2-Amino-5-butyl-1,3-thiazol-4(5h)-one
CID 223982
2-(2-Imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3149562
2-Amino-5-(2-aminoethyl)-1,3-thiazol-4-one
CID 3023530
2-Amino-5,5-diethyl-1,3-thiazol-4-one
CID 257331
2-Amino-5-ethyl-1,3-thiazol-4-one hydrochloride
CID 24181929
1-(5-Methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)guanidine
CID 18830431
2-Amino-5-(propan-2-yl)-1,3-thiazol-4(5h)-one
CID 262722
2-Amino-5-propyl-1,3-thiazol-4-one
CID 15728453
2-Amino-5-ethyl-1,3-thiazol-4-one;ethane;yttrium
CID 58101895
(1-amino-1-oxobutan-2-yl) N'-propylcarbamimidothioate
CID 87476922

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide?
The IUPAC name of 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide (CID 117067483) is 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide.
What is the SMILES notation for 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide?
The canonical SMILES for 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide is Br.CCC1SC(N)=NC1=O.
What is the InChIKey of 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide?
The InChIKey is XIHSXDURMRUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.BrH/c1-2-3-4(8)7-5(6)9-3;/h3H,2H2,1H3,(H2,6,7,8);1H.
What are the key properties of 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide?
2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide has a molecular weight of 225.11 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-1,3-thiazol-4-one;hydrobromide is sourced from PubChem (CID 117067483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).