1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

C11H9BrN2OS — CID 2317913

IUPAC1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13/h1-6,13H,7H2/b13-11-
InChIKeyYVKVOEATFFQLOX-QBFSEMIESA-N
MW297.18 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (PubChem CID 2317913) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
PubChem CID2317913
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13/h1-6,13H,7H2/b13-11-
InChIKeyYVKVOEATFFQLOX-QBFSEMIESA-N
XLogP2.67
TPSA45.85 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (CID 2317913) is 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is [H]/N=c1\sccn1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The InChIKey is YVKVOEATFFQLOX-QBFSEMIESA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13/h1-6,13H,7H2/b13-11-.
What are the key properties of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone has a molecular weight of 297.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 2317913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).