2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C10H9BrN2OS — CID 2265052

IUPAC2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyKAANEANCBKKQLE-BENRWUELSA-N
MW285.17 g/mol
LogP2.64
Rot. Bonds1

About 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one

2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 2265052) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID2265052
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyKAANEANCBKKQLE-BENRWUELSA-N
XLogP2.64
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-4-Fluoro-phenylimino]-3-methyl-thiazolidin-4-one
CID 1495114
3-(4-Bromophenyl)-4-thiazolidinone
CID 1478389
(2E)-2-(phenylimino)-3-propyl-1,3-thiazolidin-4-one
CID 399675
5-(4-Bromophenyl)imino-2,4-dimethyl-1,2,4-thiadiazolidin-3-one
CID 44452547
2-[2-(4-bromophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 44452816
3-(4-Bromophenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1303792
3-Methyl-2-phenylimino-thiazolidin-4-one
CID 1494947
(2Z)-3-(4-bromophenyl)-2-[(4-bromophenyl)imino]-1,3-thiazolidin-4-one
CID 2385868
(2Z)-2-[(4-bromophenyl)imino]-1,3-thiazolidin-4-one
CID 135411314
5-(4-Bromophenyl)imino-3,4-dimethyl-1,3,4-thiadiazolidin-2-one
CID 76312916
5-(4-Bromophenyl)imino-3,4-diethyl-1,3,4-thiadiazolidin-2-one
CID 76327360
2-(3-Bromophenylamino)thiazol-4-one
CID 135454681

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 2265052) is 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)CS/C1=N\c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is KAANEANCBKKQLE-BENRWUELSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-.
What are the key properties of 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 285.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2265052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).