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

C15H18BrNOS — CID 16654588

IUPAC2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1C1CCCCC1
InChIInChI=1S/C15H18BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2
InChIKeyHZKBQWJUJRBRJK-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.36
Rot. Bonds2

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

2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one (PubChem CID 16654588) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
PubChem CID16654588
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Br)c2)N1C1CCCCC1
InChIInChI=1S/C15H18BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2
InChIKeyHZKBQWJUJRBRJK-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one (CID 16654588) is 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Br)c2)N1C1CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
The InChIKey is HZKBQWJUJRBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c16-12-6-4-5-11(9-12)15-17(14(18)10-19-15)13-7-2-1-3-8-13/h4-6,9,13,15H,1-3,7-8,10H2.
What are the key properties of 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one has a molecular weight of 340.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 16654588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).