1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone

C5H5BrN2OS — CID 141308569

IUPAC1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1Br
InChIInChI=1S/C5H5BrN2OS/c1-2(9)3-4(6)8-5(7)10-3/h1H3,(H2,7,8)
InChIKeyQFWRHUZZMQMMCB-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.69
Rot. Bonds1

About 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone

1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone (PubChem CID 141308569) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
PubChem CID141308569
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N)nc1Br
InChIInChI=1S/C5H5BrN2OS/c1-2(9)3-4(6)8-5(7)10-3/h1H3,(H2,7,8)
InChIKeyQFWRHUZZMQMMCB-UHFFFAOYSA-N
XLogP1.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
CID 159715371
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
2-(2-amino-4-bromo-1,3-thiazol-5-yl)acetic acid
CID 83824482
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone
CID 19835045
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
2-amino-4-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 83695609
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
1-(4-amino-2-methylsulfonyl-1,3-thiazol-5-yl)ethanone
CID 58170002
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone (CID 141308569) is 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N)nc1Br.
What is the InChIKey of 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone?
The InChIKey is QFWRHUZZMQMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c1-2(9)3-4(6)8-5(7)10-3/h1H3,(H2,7,8).
What are the key properties of 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone?
1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone has a molecular weight of 221.08 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromo-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 141308569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).