(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide

C14H16BrN3O4S — CID 9154824

IUPAC(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1CSCC1=O
InChIInChI=1S/C14H16BrN3O4S/c1-9(22-11-4-2-3-10(15)5-11)14(21)17-16-12(19)6-18-8-23-7-13(18)20/h2-5,9H,6-8H2,1H3,(H,16,19)(H,17,21)/t9-/m0/s1
InChIKeyWEGCJRANVYNWJW-VIFPVBQESA-N
MW402.27 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide

(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide (PubChem CID 9154824) has the molecular formula C14H16BrN3O4S and a molecular weight of 402.27 g/mol. Its IUPAC name is (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide
PubChem CID9154824
Molecular FormulaC14H16BrN3O4S
Molecular Weight402.27 g/mol
Exact Mass401.00
IUPAC Name(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide
SMILESC[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1CSCC1=O
InChIInChI=1S/C14H16BrN3O4S/c1-9(22-11-4-2-3-10(15)5-11)14(21)17-16-12(19)6-18-8-23-7-13(18)20/h2-5,9H,6-8H2,1H3,(H,16,19)(H,17,21)/t9-/m0/s1
InChIKeyWEGCJRANVYNWJW-VIFPVBQESA-N
XLogP0.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
2-(3-bromophenoxy)-N'-[2-(3-methoxy-4-methylphenyl)acetyl]propanehydrazide
CID 17496367
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide?
The IUPAC name of (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide (CID 9154824) is (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide is C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CN1CSCC1=O.
What is the InChIKey of (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide?
The InChIKey is WEGCJRANVYNWJW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrN3O4S/c1-9(22-11-4-2-3-10(15)5-11)14(21)17-16-12(19)6-18-8-23-7-13(18)20/h2-5,9H,6-8H2,1H3,(H,16,19)(H,17,21)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide?
(2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide has a molecular weight of 402.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenoxy)-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 9154824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).