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

C12H11BrN2O2S — CID 135941236

IUPAC5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccc(Br)cc2)sc1=O
InChIInChI=1S/C12H11BrN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyIXOJYZBBAHRHKK-VGOFMYFVSA-N
MW327.20 g/mol
LogP3.15
Rot. Bonds3

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

5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135941236) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
PubChem CID135941236
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=N/c2ccc(Br)cc2)sc1=O
InChIInChI=1S/C12H11BrN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+
InChIKeyIXOJYZBBAHRHKK-VGOFMYFVSA-N
XLogP3.15
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-ethyl-5-((phenylamino)methylene)thiazolidine-2,4-dione
CID 1416942
5-[(4-Bromoanilino)methylidene]-3-methylthiazolidine-2,4-dione
CID 1488033
5-((4-Bromoanilino)methylene)-1,3-thiazolidine-2,4-dione
CID 3290479
5-{[(4-Fluorophenyl)amino]methylene}-3-methyl-1,3-thiazolidine-2,4-dione
CID 135941218
3-Ethyl-5-{[(4-fluorophenyl)amino]methylene}-1,3-thiazolidine-2,4-dione
CID 135941237
5-{[(4-Fluorophenyl)amino]methylene}-3-(methylethyl)-1,3-thiazolidine-2,4-dion e
CID 135941252
5-{[(4-Fluorophenyl)amino]methylene}-3-propyl-1,3-thiazolidine-2,4-dione
CID 135941262
3-Butyl-5-{[(4-fluorophenyl)amino]methylene}-1,3-thiazolidine-2,4-dione
CID 135941276
5-{[(4-Fluorophenyl)amino]methylene}-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 135941313
(5E)-5-[(5-bromo-1H-indol-3-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 135504605
2-[5-[(4-Bromophenyl)iminomethyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135779058
5-[(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one
CID 1209775

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one (CID 135941236) is 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one is CCn1c(O)c(/C=N/c2ccc(Br)cc2)sc1=O.
What is the InChIKey of 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is IXOJYZBBAHRHKK-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-2-15-11(16)10(18-12(15)17)7-14-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3/b14-7+.
What are the key properties of 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 327.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135941236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).