3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

C19H15F2N3OS — CID 3865741

IUPAC3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cnc(-c3ccccc3)[nH]2)N1Cc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3OS/c20-14-7-4-8-15(21)13(14)10-24-17(25)11-26-19(24)16-9-22-18(23-16)12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H,22,23)
InChIKeyXKQILAZKTPIXRL-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.13
Rot. Bonds4

About 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 3865741) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID3865741
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC Name3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cnc(-c3ccccc3)[nH]2)N1Cc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3OS/c20-14-7-4-8-15(21)13(14)10-24-17(25)11-26-19(24)16-9-22-18(23-16)12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H,22,23)
InChIKeyXKQILAZKTPIXRL-UHFFFAOYSA-N
XLogP4.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenyl-1H-imidazol-5-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 23825502
3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 5183846
3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3865748
2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3407213
3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3866351
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 74229535
3-[(2,6-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3676191
3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732020
methyl 3-[4-oxo-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazinan-3-yl]propanoate
CID 3747714
methyl 4-[3-[(2,6-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3716378
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (CID 3865741) is 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2cnc(-c3ccccc3)[nH]2)N1Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is XKQILAZKTPIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS/c20-14-7-4-8-15(21)13(14)10-24-17(25)11-26-19(24)16-9-22-18(23-16)12-5-2-1-3-6-12/h1-9,19H,10-11H2,(H,22,23).
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 371.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3865741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).