(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

C11H7BrN2O3S — CID 18809143

IUPAC(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-
InChIKeyOTCUEVJUGIAPIH-YVMONPNESA-N
MW327.16 g/mol
LogP2.25
Rot. Bonds2

About (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 18809143) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID18809143
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-
InChIKeyOTCUEVJUGIAPIH-YVMONPNESA-N
XLogP2.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (CID 18809143) is (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is O=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Br)c1.
What is the InChIKey of (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is OTCUEVJUGIAPIH-YVMONPNESA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-.
What are the key properties of (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
(2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 327.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 18809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).