1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide

C11H12Br2N2OS — CID 90484090

IUPAC1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2OS.BrH/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13;/h1-4,13H,5-7H2;1H/b13-11-;
InChIKeyCZWXUMHOEYSKKI-KEHAOADBSA-N
MW380.11 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide

1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide (PubChem CID 90484090) has the molecular formula C11H12Br2N2OS and a molecular weight of 380.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide
PubChem CID90484090
Molecular FormulaC11H12Br2N2OS
Molecular Weight380.11 g/mol
Exact Mass377.90
IUPAC Name1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2OS.BrH/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13;/h1-4,13H,5-7H2;1H/b13-11-;
InChIKeyCZWXUMHOEYSKKI-KEHAOADBSA-N
XLogP3.19
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide?
The IUPAC name of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide (CID 90484090) is 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide is Br.[H]/N=C1\SCCN1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide?
The InChIKey is CZWXUMHOEYSKKI-KEHAOADBSA-N. The full InChI is InChI=1S/C11H11BrN2OS.BrH/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13;/h1-4,13H,5-7H2;1H/b13-11-;.
What are the key properties of 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide?
1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide has a molecular weight of 380.11 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone;hydrobromide is sourced from PubChem (CID 90484090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).