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

C14H12N4O3S — CID 659438

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C14H12N4O3S/c1-2-11-16-17-14(22-11)15-10(19)7-18-12(20)8-5-3-4-6-9(8)13(18)21/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKeyGOSBIMRHNIGHFK-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.34
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 659438) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID659438
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C14H12N4O3S/c1-2-11-16-17-14(22-11)15-10(19)7-18-12(20)8-5-3-4-6-9(8)13(18)21/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKeyGOSBIMRHNIGHFK-UHFFFAOYSA-N
XLogP1.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.34
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-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 659438) is 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GOSBIMRHNIGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-2-11-16-17-14(22-11)15-10(19)7-18-12(20)8-5-3-4-6-9(8)13(18)21/h3-6H,2,7H2,1H3,(H,15,17,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 659438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).