2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

C14H11Br2NOS2 — CID 25058768

IUPAC2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1Cc1cccs1
InChIInChI=1S/C14H11Br2NOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKeySZIANFCRAWCVBM-UHFFFAOYSA-N
MW433.19 g/mol
LogP5.05
Rot. Bonds3

About 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 25058768) has the molecular formula C14H11Br2NOS2 and a molecular weight of 433.19 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID25058768
Molecular FormulaC14H11Br2NOS2
Molecular Weight433.19 g/mol
Exact Mass430.86
IUPAC Name2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Br)cccc2Br)N1Cc1cccs1
InChIInChI=1S/C14H11Br2NOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKeySZIANFCRAWCVBM-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.19
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromobenzyl)-2-thien-2-ylacetamide
CID 1246426
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
(Z)-3-benzyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1722568
3-Benzyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1722569
3-[(3,5-Difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3454035
2-(3-Bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781919
2-(3-Bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3800197
3-[(3,4-Difluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3872455
(5E)-3-benzyl-5-(thiophen-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 2260462
(5S)-1-[(2-bromophenyl)methyl]-5-(1-thiophen-2-ylethenyl)pyrrolidin-2-one
CID 135010446
3-Benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 139219612
5-[(5-Bromothiophen-2-yl)methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1321884

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 25058768) is 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(Br)cccc2Br)N1Cc1cccs1.
What is the InChIKey of 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is SZIANFCRAWCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NOS2/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2.
What are the key properties of 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 433.19 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).