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

C10H10BrNOS — CID 536046

IUPAC2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC1(c2ccc(Br)cc2)NC(=O)CS1
InChIInChI=1S/C10H10BrNOS/c1-10(12-9(13)6-14-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,13)
InChIKeyIYXKCDXCZMIUBX-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.48
Rot. Bonds1

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

2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 536046) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID536046
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC1(c2ccc(Br)cc2)NC(=O)CS1
InChIInChI=1S/C10H10BrNOS/c1-10(12-9(13)6-14-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,13)
InChIKeyIYXKCDXCZMIUBX-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one (CID 536046) is 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one is CC1(c2ccc(Br)cc2)NC(=O)CS1.
What is the InChIKey of 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is IYXKCDXCZMIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-10(12-9(13)6-14-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one?
2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 272.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 536046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).