N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C24H19N3O6S — CID 2998894

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C24H19N3O6S/c28-20-11-14(13-27(20)15-5-6-16-19(12-15)33-10-9-32-16)23(29)26-24-25-21(17-3-1-7-30-17)22(34-24)18-4-2-8-31-18/h1-8,12,14H,9-11,13H2,(H,25,26,29)
InChIKeyJMORYDPFQCYQGK-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.43
Rot. Bonds5

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2998894) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2998894
Molecular FormulaC24H19N3O6S
Molecular Weight477.50 g/mol
Exact Mass477.10
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C24H19N3O6S/c28-20-11-14(13-27(20)15-5-6-16-19(12-15)33-10-9-32-16)23(29)26-24-25-21(17-3-1-7-30-17)22(34-24)18-4-2-8-31-18/h1-8,12,14H,9-11,13H2,(H,25,26,29)
InChIKeyJMORYDPFQCYQGK-UHFFFAOYSA-N
XLogP4.43
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16252853
N-(3,4-dimethoxyphenyl)-2-(7-(furan-2-yl)-2-morpholino-4-oxothiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
CID 42100008
2-((3,4-dimethoxyphenyl)amino)-N-(4-(furan-2-yl)thiazol-2-yl)thiazole-4-carboxamide
CID 45497728
N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7999200
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9206364
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 16300646
N-(3,4-dimethoxyphenyl)-2-(7-(furan-2-yl)-4-oxo-2-(pyrrolidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
CID 30836702
2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoimidazolidin-1-yl)-N-(4-(furan-2-yl)thiazol-2-yl)acetamide
CID 49676362
3-acetamido-N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2117880
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 7916717
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 8001199
(3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8012071

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 2998894) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JMORYDPFQCYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c28-20-11-14(13-27(20)15-5-6-16-19(12-15)33-10-9-32-16)23(29)26-24-25-21(17-3-1-7-30-17)22(34-24)18-4-2-8-31-18/h1-8,12,14H,9-11,13H2,(H,25,26,29).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2998894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).