2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide

C11H13BrN2OS — CID 2770204

IUPAC2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CC(=O)c1ccccc1
InChIInChI=1S/C11H12N2OS.BrH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,12H,6-8H2;1H/b12-11-;
InChIKeyHLACPNZZRMLNQK-AFEZEDKISA-N
MW301.21 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide

2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide (PubChem CID 2770204) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
PubChem CID2770204
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
SMILESBr.[H]/N=C1\SCCN1CC(=O)c1ccccc1
InChIInChI=1S/C11H12N2OS.BrH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,12H,6-8H2;1H/b12-11-;
InChIKeyHLACPNZZRMLNQK-AFEZEDKISA-N
XLogP2.43
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pifithrin
CID 9929138
3-(2-Oxo-2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 652953
1-(4-Fluorophenyl)-2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone;hydrobromide
CID 45265617
2-(2-Imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone
CID 2487687
2-[2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl]-1-phenyl-1-ethanone hydrobromide
CID 10132736
2-[Benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide
CID 12006290
CID 15944810
CID 15944810
1-(4-Ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone;hydrobromide
CID 16236318
2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-phenylethanone
CID 3787830
1-(4-fluorophenyl)-2-[2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl]-1-ethanone
CID 3789520
1-(3-Fluorophenyl)-2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone
CID 11595852
2-{2-[(E)-Benzylimino]-thiazolidin-3-yl}-1-phenyl-ethanone
CID 12005521

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide (CID 2770204) is 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide is Br.[H]/N=C1\SCCN1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The InChIKey is HLACPNZZRMLNQK-AFEZEDKISA-N. The full InChI is InChI=1S/C11H12N2OS.BrH/c12-11-13(6-7-15-11)8-10(14)9-4-2-1-3-5-9;/h1-5,12H,6-8H2;1H/b12-11-;.
What are the key properties of 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide has a molecular weight of 301.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 2770204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).