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

C11H9BrN2OS — CID 116597097

IUPAC1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-7(4-9(13)5-8)10(15)6-11-14-1-2-16-11/h1-5H,6,13H2
InChIKeyVOFGMQFYQAUMBA-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.91
Rot. Bonds3

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

1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116597097) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116597097
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2nccs2)c1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-7(4-9(13)5-8)10(15)6-11-14-1-2-16-11/h1-5H,6,13H2
InChIKeyVOFGMQFYQAUMBA-UHFFFAOYSA-N
XLogP2.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-Aminophenyl)(thiazol-2-yl)methanone
CID 12212474
(5-Amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone
CID 143451810
5-bromo-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357315
5-amino-2-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238432
5-amino-2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 64486575
5-amino-2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 64488725
1-[3-Fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 82535536
1-[4-Fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 82535538
1-(2-Amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 82684743
1-(3-Bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 82809770
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103707532

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116597097) is 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone is Nc1cc(Br)cc(C(=O)Cc2nccs2)c1.
What is the InChIKey of 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is VOFGMQFYQAUMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-3-7(4-9(13)5-8)10(15)6-11-14-1-2-16-11/h1-5H,6,13H2.
What are the key properties of 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 297.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116597097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).