(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

C16H12BrN3O3S — CID 135665712

IUPAC(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)18-16-19-15(21)14(24-16)9-10-2-1-3-13(8-10)20(22)23/h1-8,14H,9H2,(H,18,19,21)/t14-/m1/s1
InChIKeyBFQNOONFYJGQGW-CQSZACIVSA-N
MW406.26 g/mol
LogP3.82
Rot. Bonds4

About (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one

(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135665712) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135665712
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC Name(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)18-16-19-15(21)14(24-16)9-10-2-1-3-13(8-10)20(22)23/h1-8,14H,9H2,(H,18,19,21)/t14-/m1/s1
InChIKeyBFQNOONFYJGQGW-CQSZACIVSA-N
XLogP3.82
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 86261402
(5S)-2-(4-bromophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135912748
(5R)-5-[(3-nitrophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136678569
(2E)-5-[(4-bromophenyl)methyl]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135659589
(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135593617
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135775065
(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135850163
(2E)-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478270
(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135478269
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
(2E,5R)-5-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726164
(2E,5R)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135763917

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one (CID 135665712) is (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is BFQNOONFYJGQGW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)18-16-19-15(21)14(24-16)9-10-2-1-3-13(8-10)20(22)23/h1-8,14H,9H2,(H,18,19,21)/t14-/m1/s1.
What are the key properties of (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
(5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 406.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-bromophenyl)imino-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).