2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

C15H12BrFN2OS — CID 3766722

IUPAC2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Br)c2)N1Cc1ccccn1
InChIInChI=1S/C15H12BrFN2OS/c16-12-7-10(4-5-13(12)17)15-19(14(20)9-21-15)8-11-3-1-2-6-18-11/h1-7,15H,8-9H2
InChIKeyIQFGGQYXCDPMMK-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.76
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3766722) has the molecular formula C15H12BrFN2OS and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3766722
Molecular FormulaC15H12BrFN2OS
Molecular Weight367.24 g/mol
Exact Mass365.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Br)c2)N1Cc1ccccn1
InChIInChI=1S/C15H12BrFN2OS/c16-12-7-10(4-5-13(12)17)15-19(14(20)9-21-15)8-11-3-1-2-6-18-11/h1-7,15H,8-9H2
InChIKeyIQFGGQYXCDPMMK-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 3862622
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 10339790
2-(3-bromo-4-fluorophenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3855786
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
tert-butyl 3-[2-(3-bromo-4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3742560
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
2-(5-bromothiophen-2-yl)-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
CID 4986454
3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3775353
2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (CID 3766722) is 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(Br)c2)N1Cc1ccccn1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is IQFGGQYXCDPMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2OS/c16-12-7-10(4-5-13(12)17)15-19(14(20)9-21-15)8-11-3-1-2-6-18-11/h1-7,15H,8-9H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 367.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3766722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).