2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide

C12H10Br2N2O3S — CID 114370897

IUPAC2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-2-9(14)8(5-7)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18)
InChIKeyDZMWDBKOOBBMQN-UHFFFAOYSA-N
MW422.10 g/mol
LogP2.64
Rot. Bonds4

About 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide

2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide (PubChem CID 114370897) has the molecular formula C12H10Br2N2O3S and a molecular weight of 422.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
PubChem CID114370897
Molecular FormulaC12H10Br2N2O3S
Molecular Weight422.10 g/mol
Exact Mass419.88
IUPAC Name2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-2-9(14)8(5-7)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18)
InChIKeyDZMWDBKOOBBMQN-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methylbenzamide
CID 79467461
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methoxybenzamide
CID 60857890
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55958782
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557110
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
2,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 114372223

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide (CID 114370897) is 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide is O=C(NCCN1C(=O)CSC1=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide?
The InChIKey is DZMWDBKOOBBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S/c13-7-1-2-9(14)8(5-7)11(18)15-3-4-16-10(17)6-20-12(16)19/h1-2,5H,3-4,6H2,(H,15,18).
What are the key properties of 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide?
2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide has a molecular weight of 422.10 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 114370897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).