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

C9H10N4O3S — CID 1121701

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nncs1
InChIInChI=1S/C9H10N4O3S/c14-6(11-9-12-10-5-17-9)3-4-13-7(15)1-2-8(13)16/h5H,1-4H2,(H,11,12,14)
InChIKeyHRYVJOCFVVDEHO-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.02
Rot. Bonds4

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

3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1121701) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1121701
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nncs1
InChIInChI=1S/C9H10N4O3S/c14-6(11-9-12-10-5-17-9)3-4-13-7(15)1-2-8(13)16/h5H,1-4H2,(H,11,12,14)
InChIKeyHRYVJOCFVVDEHO-UHFFFAOYSA-N
XLogP0.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.02
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-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 1121701) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1nncs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is HRYVJOCFVVDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c14-6(11-9-12-10-5-17-9)3-4-13-7(15)1-2-8(13)16/h5H,1-4H2,(H,11,12,14).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 254.27 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1121701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).