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

C10H10BrNOS — CID 175252301

IUPAC4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyMGXBLMMIGHQKLA-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.29
Rot. Bonds1

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

4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one (PubChem CID 175252301) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one
PubChem CID175252301
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one
SMILESCN1C(=O)SCC1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyMGXBLMMIGHQKLA-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one (CID 175252301) is 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one is CN1C(=O)SCC1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one?
The InChIKey is MGXBLMMIGHQKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one?
4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one has a molecular weight of 272.17 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 175252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).