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

C17H16BrNO2S — CID 3288402

IUPAC2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-2-21-15-8-6-14(7-9-15)19-16(20)11-22-17(19)12-4-3-5-13(18)10-12/h3-10,17H,2,11H2,1H3
InChIKeyGTATUIOKRBJUGF-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.63
Rot. Bonds4

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

2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3288402) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3288402
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-2-21-15-8-6-14(7-9-15)19-16(20)11-22-17(19)12-4-3-5-13(18)10-12/h3-10,17H,2,11H2,1H3
InChIKeyGTATUIOKRBJUGF-UHFFFAOYSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
LW479
CID 91900719
2-(3-Bromophenyl)-3-(2,4-dimethoxyphenyl)-4-thiazolidinone
CID 3574452
2-(4-Methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 2840254
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
3-Benzyl-5-(4-ethoxyanilino)-1,3-thiazolidine-2,4-dione
CID 3145414
2-(4-bromophenoxy)-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 662738
4-Thiazolidinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 2796543
2-(4-Methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(4-Bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 4195676
5-[(3-Bromo-4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)-1,3-thiazol-2-one
CID 57392631
5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
CID 132559048

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 3288402) is 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc(N2C(=O)CSC2c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is GTATUIOKRBJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-2-21-15-8-6-14(7-9-15)19-16(20)11-22-17(19)12-4-3-5-13(18)10-12/h3-10,17H,2,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 378.29 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3288402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).