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

C11H9BrN4OS — CID 155927281

IUPAC2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1n1cnnc1
InChIInChI=1S/C11H9BrN4OS/c12-9-3-1-8(2-4-9)11-16(10(17)5-18-11)15-6-13-14-7-15/h1-4,6-7,11H,5H2
InChIKeyLJWCXDSHQRQJSQ-UHFFFAOYSA-N
MW325.19 g/mol
LogP1.95
Rot. Bonds2

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

2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 155927281) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID155927281
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1n1cnnc1
InChIInChI=1S/C11H9BrN4OS/c12-9-3-1-8(2-4-9)11-16(10(17)5-18-11)15-6-13-14-7-15/h1-4,6-7,11H,5H2
InChIKeyLJWCXDSHQRQJSQ-UHFFFAOYSA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one (CID 155927281) is 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)cc2)N1n1cnnc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is LJWCXDSHQRQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c12-9-3-1-8(2-4-9)11-16(10(17)5-18-11)15-6-13-14-7-15/h1-4,6-7,11H,5H2.
What are the key properties of 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one?
2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 325.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(1,2,4-triazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155927281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).