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

C11H11BrN2OS — CID 91622717

IUPAC1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
SMILES[H]/N=C1\SCCN1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-3,6,13H,4-5,7H2/b13-11-
InChIKeySIVCPATXICONBJ-QBFSEMIESA-N
MW299.19 g/mol
LogP2.62
Rot. Bonds3

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

1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone (PubChem CID 91622717) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
PubChem CID91622717
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
SMILES[H]/N=C1\SCCN1CC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-3,6,13H,4-5,7H2/b13-11-
InChIKeySIVCPATXICONBJ-QBFSEMIESA-N
XLogP2.62
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.62
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

N-[3-[2-(3-bromophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide;hydrochloride
CID 159374778
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1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
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1-(3-chloro-5-nitrophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
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CID 55094321
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CID 54886122
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CID 62036990
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone (CID 91622717) is 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone is [H]/N=C1\SCCN1CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is SIVCPATXICONBJ-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9-3-1-2-8(6-9)10(15)7-14-4-5-16-11(14)13/h1-3,6,13H,4-5,7H2/b13-11-.
What are the key properties of 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 299.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 91622717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).