2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide

C18H18BrFN2O2S — CID 122330064

IUPAC2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H18BrFN2O2S/c1-11-3-5-13(10-15(11)20)21-18(23)22-7-8-25-17(22)14-9-12(19)4-6-16(14)24-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,21,23)
InChIKeyXECAWYPGDVAMKB-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.18
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide

2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330064) has the molecular formula C18H18BrFN2O2S and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330064
Molecular FormulaC18H18BrFN2O2S
Molecular Weight425.32 g/mol
Exact Mass424.03
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H18BrFN2O2S/c1-11-3-5-13(10-15(11)20)21-18(23)22-7-8-25-17(22)14-9-12(19)4-6-16(14)24-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,21,23)
InChIKeyXECAWYPGDVAMKB-UHFFFAOYSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122330126
N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330644
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-fluorophenoxy)propan-1-one
CID 122330180
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330645
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide (CID 122330064) is 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(Br)cc1C1SCCN1C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is XECAWYPGDVAMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2S/c1-11-3-5-13(10-15(11)20)21-18(23)22-7-8-25-17(22)14-9-12(19)4-6-16(14)24-2/h3-6,9-10,17H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide?
2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).