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

C17H16BrNO3S — CID 4195676

IUPAC3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(Br)cc2)c1OC
InChIInChI=1S/C17H16BrNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3
InChIKeyPHFJRGXOKTWSNI-UHFFFAOYSA-N
MW394.29 g/mol
LogP4.24
Rot. Bonds4

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

3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4195676) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4195676
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC Name3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2c2ccc(Br)cc2)c1OC
InChIInChI=1S/C17H16BrNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3
InChIKeyPHFJRGXOKTWSNI-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-Dimethoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4055125
2-(2,3-Dimethoxyphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 4055126
2-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24981913
2-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981914
2-(3-Bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
2-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-4-thiazolidinone
CID 4055124
3-(4-Chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 4259693
2-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 25163091
2-(3-Bromophenyl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 71511686
2-(2,3-Dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 4055127
3-(4-Bromophenyl)-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 6737644
1-[2-[2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone
CID 13335765

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 4195676) is 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2c2ccc(Br)cc2)c1OC.
What is the InChIKey of 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PHFJRGXOKTWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c1-21-14-5-3-4-13(16(14)22-2)17-19(15(20)10-23-17)12-8-6-11(18)7-9-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 394.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4195676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).