2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

C12H13BrN2O2S — CID 42625455

IUPAC2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-17-7-6-15-11(16)8-18-12(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3/b14-12-
InChIKeyIPPFVXGIONVYOZ-OWBHPGMISA-N
MW329.22 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one

2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (PubChem CID 42625455) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
PubChem CID42625455
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c1-17-7-6-15-11(16)8-18-12(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3/b14-12-
InChIKeyIPPFVXGIONVYOZ-OWBHPGMISA-N
XLogP2.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one (CID 42625455) is 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is COCCN1C(=O)CS/C1=N\c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
The InChIKey is IPPFVXGIONVYOZ-OWBHPGMISA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-17-7-6-15-11(16)8-18-12(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3/b14-12-.
What are the key properties of 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one?
2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one has a molecular weight of 329.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imino-3-(2-methoxyethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42625455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).