N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C24H15F2N3O4S — CID 60578831

IUPACN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H15F2N3O4S/c25-15-5-3-13(20(26)10-15)8-17-11-27-24(34-17)28-21(30)14-4-6-18-19(9-14)23(32)29(22(18)31)12-16-2-1-7-33-16/h1-7,9-11H,8,12H2,(H,27,28,30)
InChIKeyWVJRCIBFOIYCDY-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.65
Rot. Bonds6

About N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 60578831) has the molecular formula C24H15F2N3O4S and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID60578831
Molecular FormulaC24H15F2N3O4S
Molecular Weight479.46 g/mol
Exact Mass479.08
IUPAC NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H15F2N3O4S/c25-15-5-3-13(20(26)10-15)8-17-11-27-24(34-17)28-21(30)14-4-6-18-19(9-14)23(32)29(22(18)31)12-16-2-1-7-33-16/h1-7,9-11H,8,12H2,(H,27,28,30)
InChIKeyWVJRCIBFOIYCDY-UHFFFAOYSA-N
XLogP4.65
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 17361516
2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 26066325
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 46797627
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 55692711

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 60578831) is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is WVJRCIBFOIYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O4S/c25-15-5-3-13(20(26)10-15)8-17-11-27-24(34-17)28-21(30)14-4-6-18-19(9-14)23(32)29(22(18)31)12-16-2-1-7-33-16/h1-7,9-11H,8,12H2,(H,27,28,30).
What are the key properties of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 60578831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).