N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide

C19H14BrN3O5S — CID 1383448

IUPACN'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide
SMILESO=C(CN1C(=O)SC(=Cc2ccc(Br)cc2)C1=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C19H14BrN3O5S/c20-12-7-5-11(6-8-12)9-15-18(27)23(19(28)29-15)10-16(25)21-22-17(26)13-3-1-2-4-14(13)24/h1-9,24H,10H2,(H,21,25)(H,22,26)
InChIKeyOAWLVJFBRIPOQR-UHFFFAOYSA-N
MW476.31 g/mol
LogP2.65
Rot. Bonds4

About N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide

N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide (PubChem CID 1383448) has the molecular formula C19H14BrN3O5S and a molecular weight of 476.31 g/mol. Its IUPAC name is N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide
PubChem CID1383448
Molecular FormulaC19H14BrN3O5S
Molecular Weight476.31 g/mol
Exact Mass474.98
IUPAC NameN'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide
SMILESO=C(CN1C(=O)SC(=Cc2ccc(Br)cc2)C1=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C19H14BrN3O5S/c20-12-7-5-11(6-8-12)9-15-18(27)23(19(28)29-15)10-16(25)21-22-17(26)13-3-1-2-4-14(13)24/h1-9,24H,10H2,(H,21,25)(H,22,26)
InChIKeyOAWLVJFBRIPOQR-UHFFFAOYSA-N
XLogP2.65
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.31
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N'-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]benzohydrazide
CID 59321648
N'-[2-[5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide
CID 1274184
2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 4101407
N'-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
CID 1364305
N'-[4-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoyl]-2-hydroxybenzohydrazide
CID 3368261
N-(4-bromophenyl)-2-[(5Z)-5-[(4-ethylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126357177
5-benzylidene-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2901200
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-bromobenzamide
CID 5125609
2-[[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425088
2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 16632113
N-(4-bromophenyl)-2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126158690
2-[(5E)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 126210068

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide (CID 1383448) is N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide is O=C(CN1C(=O)SC(=Cc2ccc(Br)cc2)C1=O)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide?
The InChIKey is OAWLVJFBRIPOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O5S/c20-12-7-5-11(6-8-12)9-15-18(27)23(19(28)29-15)10-16(25)21-22-17(26)13-3-1-2-4-14(13)24/h1-9,24H,10H2,(H,21,25)(H,22,26).
What are the key properties of N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide?
N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide has a molecular weight of 476.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 1383448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).