N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H15F2N3O4S — CID 135427774

IUPACN-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O4S/c20-10-1-3-13(12(21)7-10)23-17(25)9-16-18(26)24-19(29-16)22-11-2-4-14-15(8-11)28-6-5-27-14/h1-4,7-8,16H,5-6,9H2,(H,23,25)(H,22,24,26)
InChIKeyHUEZHXSCGNERNM-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.98
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135427774) has the molecular formula C19H15F2N3O4S and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135427774
Molecular FormulaC19H15F2N3O4S
Molecular Weight419.41 g/mol
Exact Mass419.08
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O4S/c20-10-1-3-13(12(21)7-10)23-17(25)9-16-18(26)24-19(29-16)22-11-2-4-14-15(8-11)28-6-5-27-14/h1-4,7-8,16H,5-6,9H2,(H,23,25)(H,22,24,26)
InChIKeyHUEZHXSCGNERNM-UHFFFAOYSA-N
XLogP2.98
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135427774) is N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is HUEZHXSCGNERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4S/c20-10-1-3-13(12(21)7-10)23-17(25)9-16-18(26)24-19(29-16)22-11-2-4-14-15(8-11)28-6-5-27-14/h1-4,7-8,16H,5-6,9H2,(H,23,25)(H,22,24,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 419.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135427774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).