2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one

C16H12Br2N2OS — CID 171716360

IUPAC2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Br)N1/N=C/c1ccccc1Br
InChIInChI=1S/C16H12Br2N2OS/c17-13-7-3-1-5-11(13)9-19-20-15(21)10-22-16(20)12-6-2-4-8-14(12)18/h1-9,16H,10H2/b19-9+
InChIKeySNBLTXWZBGSCJT-DJKKODMXSA-N
MW440.16 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one

2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one (PubChem CID 171716360) has the molecular formula C16H12Br2N2OS and a molecular weight of 440.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
PubChem CID171716360
Molecular FormulaC16H12Br2N2OS
Molecular Weight440.16 g/mol
Exact Mass437.90
IUPAC Name2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2Br)N1/N=C/c1ccccc1Br
InChIInChI=1S/C16H12Br2N2OS/c17-13-7-3-1-5-11(13)9-19-20-15(21)10-22-16(20)12-6-2-4-8-14(12)18/h1-9,16H,10H2/b19-9+
InChIKeySNBLTXWZBGSCJT-DJKKODMXSA-N
XLogP4.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.16
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
CID 805397
3-[(2-bromophenyl)methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
CID 174843474
(2-bromophenyl)methylidenehydrazine
CID 73079892
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
2-(benzotriazol-1-yl)-N-[2-(2-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11575624
3-[(E)-(6-chloro-5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 137262549
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079704
2-[[(2R)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]imino]-1,3-diazinane-4,6-dione
CID 136819042
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one (CID 171716360) is 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2Br)N1/N=C/c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
The InChIKey is SNBLTXWZBGSCJT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H12Br2N2OS/c17-13-7-3-1-5-11(13)9-19-20-15(21)10-22-16(20)12-6-2-4-8-14(12)18/h1-9,16H,10H2/b19-9+.
What are the key properties of 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one?
2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one has a molecular weight of 440.16 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-[(E)-(2-bromophenyl)methylideneamino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171716360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).