3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide

C20H17N3O4S — CID 24525146

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
SMILESCc1nc(-c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)o2)cs1
InChIInChI=1S/C20H17N3O4S/c1-12-22-16(11-28-12)17-7-6-13(27-17)10-21-18(24)8-9-23-19(25)14-4-2-3-5-15(14)20(23)26/h2-7,11H,8-10H2,1H3,(H,21,24)
InChIKeyWUXWAOWJVALCMK-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.01
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide (PubChem CID 24525146) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
PubChem CID24525146
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
SMILESCc1nc(-c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)o2)cs1
InChIInChI=1S/C20H17N3O4S/c1-12-22-16(11-28-12)17-7-6-13(27-17)10-21-18(24)8-9-23-19(25)14-4-2-3-5-15(14)20(23)26/h2-7,11H,8-10H2,1H3,(H,21,24)
InChIKeyWUXWAOWJVALCMK-UHFFFAOYSA-N
XLogP3.01
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide (CID 24525146) is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide is Cc1nc(-c2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)o2)cs1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
The InChIKey is WUXWAOWJVALCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-12-22-16(11-28-12)17-7-6-13(27-17)10-21-18(24)8-9-23-19(25)14-4-2-3-5-15(14)20(23)26/h2-7,11H,8-10H2,1H3,(H,21,24).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide has a molecular weight of 395.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 24525146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).