5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one

C10H7BrN2O2S — CID 3290479

IUPAC5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)s1
InChIInChI=1S/C10H7BrN2O2S/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+
InChIKeyRPPKQYGISOOLQQ-LFYBBSHMSA-N
MW299.15 g/mol
LogP2.66
Rot. Bonds2

About 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 3290479) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID3290479
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)s1
InChIInChI=1S/C10H7BrN2O2S/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+
InChIKeyRPPKQYGISOOLQQ-LFYBBSHMSA-N
XLogP2.66
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-Bromoanilino)methylidene]-3-methylthiazolidine-2,4-dione
CID 1488033
5-[(5-Bromoindol-3-yl)methylene]-1,3-thiazolidine-2,4-dione
CID 135504594
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 1281647
5-{[(4-Fluorophenyl)amino]methylene}-1,3-thiazolidine-2,4-dione
CID 135941207
5-[(2-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 137249234
(5E)-5-[(4-bromoanilino)methylene]-2,4-imidazolidinedione
CID 3505878
5-(Anilinomethylene)-1,3-thiazolidine-2,4-dione
CID 5080342
5-[(4-Bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 135455201
5-{[2-(4-Bromophenyl)hydrazino]methylene}-2-thioxo-1,3-thiazolidin-4-one
CID 135568094
5-{[(4-Bromophenyl)amino]methylene}-3-ethyl-1,3-thiazolidine-2,4-dione
CID 135941236
5-{[(4-Bromophenyl)amino]methylene}-3-(methylethyl)-1,3-thiazolidine-2,4-dione
CID 135941253
5-{[(4-Bromophenyl)amino]methylene}-3-propyl-1,3-thiazolidine-2,4-dione
CID 135941261

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 3290479) is 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(/C=N/c2ccc(Br)cc2)s1.
What is the InChIKey of 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is RPPKQYGISOOLQQ-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-6-1-3-7(4-2-6)12-5-8-9(14)13-10(15)16-8/h1-5,14H,(H,13,15)/b12-5+.
What are the key properties of 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 299.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 3290479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).