2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one

C19H13BrClNO2S2 — CID 3288405

IUPAC2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13BrClNO2S2/c20-17-10-9-16(26-17)19-22(18(23)11-25-19)13-3-7-15(8-4-13)24-14-5-1-12(21)2-6-14/h1-10,19H,11H2
InChIKeyGGPQTFBGPAWZBT-UHFFFAOYSA-N
MW466.81 g/mol
LogP6.73
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one

2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3288405) has the molecular formula C19H13BrClNO2S2 and a molecular weight of 466.81 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3288405
Molecular FormulaC19H13BrClNO2S2
Molecular Weight466.81 g/mol
Exact Mass464.93
IUPAC Name2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13BrClNO2S2/c20-17-10-9-16(26-17)19-22(18(23)11-25-19)13-3-7-15(8-4-13)24-14-5-1-12(21)2-6-14/h1-10,19H,11H2
InChIKeyGGPQTFBGPAWZBT-UHFFFAOYSA-N
XLogP6.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.81
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one (CID 3288405) is 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)s2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is GGPQTFBGPAWZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClNO2S2/c20-17-10-9-16(26-17)19-22(18(23)11-25-19)13-3-7-15(8-4-13)24-14-5-1-12(21)2-6-14/h1-10,19H,11H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 466.81 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3288405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).