4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione

C7H9N5O4S2 — CID 113383253

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H9N5O4S2/c1-3-5(14)9-4(13)2-12(3)18(15,16)7-11-10-6(8)17-7/h3H,2H2,1H3,(H2,8,10)(H,9,13,14)
InChIKeyWPLAWPGSYCYAIY-UHFFFAOYSA-N
MW291.31 g/mol
LogP-1.84
Rot. Bonds2

About 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione (PubChem CID 113383253) has the molecular formula C7H9N5O4S2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione
PubChem CID113383253
Molecular FormulaC7H9N5O4S2
Molecular Weight291.31 g/mol
Exact Mass291.01
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H9N5O4S2/c1-3-5(14)9-4(13)2-12(3)18(15,16)7-11-10-6(8)17-7/h3H,2H2,1H3,(H2,8,10)(H,9,13,14)
InChIKeyWPLAWPGSYCYAIY-UHFFFAOYSA-N
XLogP-1.84
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione (CID 113383253) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione?
The InChIKey is WPLAWPGSYCYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O4S2/c1-3-5(14)9-4(13)2-12(3)18(15,16)7-11-10-6(8)17-7/h3H,2H2,1H3,(H2,8,10)(H,9,13,14).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione?
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione has a molecular weight of 291.31 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 113383253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).