3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one

C18H14F2N2OS — CID 74229341

IUPAC3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1Cc1ccc(F)cc1F
InChIInChI=1S/C18H14F2N2OS/c19-12-6-5-11(15(20)7-12)9-22-17(23)10-24-18(22)14-8-21-16-4-2-1-3-13(14)16/h1-8,18,21H,9-10H2
InChIKeyCMSANXBWPHQEJQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.22
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one

3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 74229341) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
PubChem CID74229341
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1Cc1ccc(F)cc1F
InChIInChI=1S/C18H14F2N2OS/c19-12-6-5-11(15(20)7-12)9-22-17(23)10-24-18(22)14-8-21-16-4-2-1-3-13(14)16/h1-8,18,21H,9-10H2
InChIKeyCMSANXBWPHQEJQ-UHFFFAOYSA-N
XLogP4.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one (CID 74229341) is 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2c[nH]c3ccccc23)N1Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is CMSANXBWPHQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c19-12-6-5-11(15(20)7-12)9-22-17(23)10-24-18(22)14-8-21-16-4-2-1-3-13(14)16/h1-8,18,21H,9-10H2.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one?
3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 344.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 74229341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).