2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one

C17H16BrNO2S — CID 130464390

IUPAC2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C)ccc1N1C(=O)CSC1c1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2S/c1-11-6-7-14(15(8-11)21-2)19-16(20)10-22-17(19)12-4-3-5-13(18)9-12/h3-9,17H,10H2,1-2H3
InChIKeyPITJKEZXRUXPPB-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.54
Rot. Bonds3

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

2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 130464390) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID130464390
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C)ccc1N1C(=O)CSC1c1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2S/c1-11-6-7-14(15(8-11)21-2)19-16(20)10-22-17(19)12-4-3-5-13(18)9-12/h3-9,17H,10H2,1-2H3
InChIKeyPITJKEZXRUXPPB-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(bromomethyl)phenyl]-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 71511614
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
2-(3-bromophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
CID 3279534
3-(4-bromo-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732041
5-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxypentanamide
CID 132559048
3-bromo-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127554
1-(2,4-difluorophenyl)-3-[3-[(2S)-3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]urea
CID 93124843
N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 93125784
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054923
3-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3288401
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one (CID 130464390) is 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one is COc1cc(C)ccc1N1C(=O)CSC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PITJKEZXRUXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-11-6-7-14(15(8-11)21-2)19-16(20)10-22-17(19)12-4-3-5-13(18)9-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one?
2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 378.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2-methoxy-4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 130464390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).