2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C15H14N4O3S — CID 839425

IUPAC2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC)C3=O)s1
InChIInChI=1S/C15H14N4O3S/c1-3-11-17-18-15(23-11)16-12(20)8-5-6-9-10(7-8)14(22)19(4-2)13(9)21/h5-7H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyHOZKZXWXGISFBC-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 839425) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID839425
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC)C3=O)s1
InChIInChI=1S/C15H14N4O3S/c1-3-11-17-18-15(23-11)16-12(20)8-5-6-9-10(7-8)14(22)19(4-2)13(9)21/h5-7H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyHOZKZXWXGISFBC-UHFFFAOYSA-N
XLogP1.97
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.97
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 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 839425) is 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC)C3=O)s1.
What is the InChIKey of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HOZKZXWXGISFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-3-11-17-18-15(23-11)16-12(20)8-5-6-9-10(7-8)14(22)19(4-2)13(9)21/h5-7H,3-4H2,1-2H3,(H,16,18,20).
What are the key properties of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 839425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).