4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one

C5H7BrN2OS — CID 83891010

IUPAC4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one
SMILESNCCc1[nH]c(=O)sc1Br
InChIInChI=1S/C5H7BrN2OS/c6-4-3(1-2-7)8-5(9)10-4/h1-2,7H2,(H,8,9)
InChIKeyOJSAEEMONADTOZ-UHFFFAOYSA-N
MW223.09 g/mol
LogP0.70
Rot. Bonds2

About 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one

4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one (PubChem CID 83891010) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one
PubChem CID83891010
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one
SMILESNCCc1[nH]c(=O)sc1Br
InChIInChI=1S/C5H7BrN2OS/c6-4-3(1-2-7)8-5(9)10-4/h1-2,7H2,(H,8,9)
InChIKeyOJSAEEMONADTOZ-UHFFFAOYSA-N
XLogP0.70
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one
CID 83884226
7-(2-aminoethyl)-2-oxo-3H-1,3-benzothiazol-4-olate
CID 143732285
7-(2-aminoethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one;hydrofluoride
CID 142718191
5-(2-aminoethyl)-4-phenyl-3H-1,3-thiazol-2-one
CID 81455355
5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
CID 114361603
4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 75494244
2-(4-bromo-2-methyl-1H-imidazol-5-yl)ethanamine
CID 83638263
4-ethyl-5-methyl-3H-1,3-thiazol-2-one
CID 43286731
4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 84731798
5-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 84604711
6-(3-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
CID 83866855
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one (CID 83891010) is 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one is NCCc1[nH]c(=O)sc1Br.
What is the InChIKey of 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one?
The InChIKey is OJSAEEMONADTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c6-4-3(1-2-7)8-5(9)10-4/h1-2,7H2,(H,8,9).
What are the key properties of 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one?
4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one has a molecular weight of 223.09 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one is sourced from PubChem (CID 83891010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).