7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide

C12H10N6O4S2 — CID 54768321

IUPAC7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nn2c(=O)cc(C(=O)NNc3ccccc3)nc2s1
InChIInChI=1S/C12H10N6O4S2/c13-24(21,22)12-17-18-9(19)6-8(14-11(18)23-12)10(20)16-15-7-4-2-1-3-5-7/h1-6,15H,(H,16,20)(H2,13,21,22)
InChIKeyAUJPDRGNZFNECT-UHFFFAOYSA-N
MW366.38 g/mol
LogP-0.44
Rot. Bonds4

About 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide

7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide (PubChem CID 54768321) has the molecular formula C12H10N6O4S2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
PubChem CID54768321
Molecular FormulaC12H10N6O4S2
Molecular Weight366.38 g/mol
Exact Mass366.02
IUPAC Name7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)c1nn2c(=O)cc(C(=O)NNc3ccccc3)nc2s1
InChIInChI=1S/C12H10N6O4S2/c13-24(21,22)12-17-18-9(19)6-8(14-11(18)23-12)10(20)16-15-7-4-2-1-3-5-7/h1-6,15H,(H,16,20)(H2,13,21,22)
InChIKeyAUJPDRGNZFNECT-UHFFFAOYSA-N
XLogP-0.44
TPSA148.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The IUPAC name of 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide (CID 54768321) is 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide is NS(=O)(=O)c1nn2c(=O)cc(C(=O)NNc3ccccc3)nc2s1.
What is the InChIKey of 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The InChIKey is AUJPDRGNZFNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O4S2/c13-24(21,22)12-17-18-9(19)6-8(14-11(18)23-12)10(20)16-15-7-4-2-1-3-5-7/h1-6,15H,(H,16,20)(H2,13,21,22).
What are the key properties of 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide has a molecular weight of 366.38 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(anilinocarbamoyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 54768321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).