5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

C8H7ClN4O3S — CID 80618531

IUPAC5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2nnc(Cl)s2)C(=O)N1
InChIInChI=1S/C8H7ClN4O3S/c9-8-13-12-7(17-8)6(16)10-3-1-2-4(14)11-5(3)15/h3H,1-2H2,(H,10,16)(H,11,14,15)
InChIKeyRUQGKNYXPABGBZ-UHFFFAOYSA-N
MW274.69 g/mol
LogP-0.27
Rot. Bonds2

About 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618531) has the molecular formula C8H7ClN4O3S and a molecular weight of 274.69 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618531
Molecular FormulaC8H7ClN4O3S
Molecular Weight274.69 g/mol
Exact Mass273.99
IUPAC Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2nnc(Cl)s2)C(=O)N1
InChIInChI=1S/C8H7ClN4O3S/c9-8-13-12-7(17-8)6(16)10-3-1-2-4(14)11-5(3)15/h3H,1-2H2,(H,10,16)(H,11,14,15)
InChIKeyRUQGKNYXPABGBZ-UHFFFAOYSA-N
XLogP-0.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80618531) is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is O=C1CCC(NC(=O)c2nnc(Cl)s2)C(=O)N1.
What is the InChIKey of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RUQGKNYXPABGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O3S/c9-8-13-12-7(17-8)6(16)10-3-1-2-4(14)11-5(3)15/h3H,1-2H2,(H,10,16)(H,11,14,15).
What are the key properties of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.69 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).