3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C15H14N4O3S — CID 655440

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C15H14N4O3S/c1-2-12-17-18-15(23-12)16-11(20)7-8-19-13(21)9-5-3-4-6-10(9)14(19)22/h3-6H,2,7-8H2,1H3,(H,16,18,20)
InChIKeyOEQUQVOOXHGUKR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.73
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 655440) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID655440
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C15H14N4O3S/c1-2-12-17-18-15(23-12)16-11(20)7-8-19-13(21)9-5-3-4-6-10(9)14(19)22/h3-6H,2,7-8H2,1H3,(H,16,18,20)
InChIKeyOEQUQVOOXHGUKR-UHFFFAOYSA-N
XLogP1.73
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.73
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-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 655440) is 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OEQUQVOOXHGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-2-12-17-18-15(23-12)16-11(20)7-8-19-13(21)9-5-3-4-6-10(9)14(19)22/h3-6H,2,7-8H2,1H3,(H,16,18,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 330.37 g/mol, XLogP of 1.73, 5 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-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 655440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).