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

C9H8BrNOS — CID 102552104

IUPAC2-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1
InChIInChI=1S/C9H8BrNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeySNBIZBHTTHVLBX-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.31
Rot. Bonds1

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

2-(4-bromophenyl)-1,3-thiazolidin-4-one (PubChem CID 102552104) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-thiazolidin-4-one
PubChem CID102552104
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name2-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1
InChIInChI=1S/C9H8BrNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeySNBIZBHTTHVLBX-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
CID 749249
2-(3-chlorophenyl)-1,3-thiazolidin-4-one
CID 5050533
(5S)-5-(4-bromophenyl)morpholin-3-one
CID 124583230
(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 747825
2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 23215000
4-(4-bromophenyl)piperidine-2,5-dione
CID 82625295
4-(4-bromophenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135594826
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
2-(4-bromophenyl)-6-methyl-1,3-thiazinane
CID 66224229
4,6-bis(4-bromophenyl)piperidin-2-one
CID 71303235
2-[3-(4-chlorophenyl)pyrazin-2-yl]-1,3-thiazolidin-4-one
CID 127257523
(2S)-2-(4-bromophenyl)azetidine
CID 91980119

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-1,3-thiazolidin-4-one (CID 102552104) is 2-(4-bromophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)cc2)N1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The InChIKey is SNBIZBHTTHVLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12).
What are the key properties of 2-(4-bromophenyl)-1,3-thiazolidin-4-one?
2-(4-bromophenyl)-1,3-thiazolidin-4-one has a molecular weight of 258.14 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 102552104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).