[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide

C5H10BrN3O2S2 — CID 90660332

IUPAC[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide
SMILESBr.NNC1=N[C@H]2CS(=O)(=O)C[C@H]2S1
InChIInChI=1S/C5H9N3O2S2.BrH/c6-8-5-7-3-1-12(9,10)2-4(3)11-5;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4+;/m0./s1
InChIKeyXBZZRAOLYJBQQL-RFKZQXLXSA-N
MW288.19 g/mol
LogP-0.70
Rot. Bonds

About [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide

[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide (PubChem CID 90660332) has the molecular formula C5H10BrN3O2S2 and a molecular weight of 288.19 g/mol. Its IUPAC name is [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide.

Molecular Properties

Compound Name[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide
PubChem CID90660332
Molecular FormulaC5H10BrN3O2S2
Molecular Weight288.19 g/mol
Exact Mass286.94
IUPAC Name[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide
SMILESBr.NNC1=N[C@H]2CS(=O)(=O)C[C@H]2S1
InChIInChI=1S/C5H9N3O2S2.BrH/c6-8-5-7-3-1-12(9,10)2-4(3)11-5;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4+;/m0./s1
InChIKeyXBZZRAOLYJBQQL-RFKZQXLXSA-N
XLogP-0.70
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide?
The IUPAC name of [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide (CID 90660332) is [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide.
What is the SMILES notation for [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide?
The canonical SMILES for [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide is Br.NNC1=N[C@H]2CS(=O)(=O)C[C@H]2S1.
What is the InChIKey of [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide?
The InChIKey is XBZZRAOLYJBQQL-RFKZQXLXSA-N. The full InChI is InChI=1S/C5H9N3O2S2.BrH/c6-8-5-7-3-1-12(9,10)2-4(3)11-5;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4+;/m0./s1.
What are the key properties of [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide?
[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide has a molecular weight of 288.19 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]hydrazine;hydrobromide is sourced from PubChem (CID 90660332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).