bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C10H10BrN5O2S2 — CID 91559737

IUPACbromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCBr.NS(=O)(=O)c1nn2cc(-c3ccncc3)nc2s1
InChIInChI=1S/C9H7N5O2S2.CH3Br/c10-18(15,16)9-13-14-5-7(12-8(14)17-9)6-1-3-11-4-2-6;1-2/h1-5H,(H2,10,15,16);1H3
InChIKeyNNNQURSFRLTMMF-UHFFFAOYSA-N
MW376.26 g/mol
LogP1.51
Rot. Bonds2

About bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 91559737) has the molecular formula C10H10BrN5O2S2 and a molecular weight of 376.26 g/mol. Its IUPAC name is bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Namebromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID91559737
Molecular FormulaC10H10BrN5O2S2
Molecular Weight376.26 g/mol
Exact Mass374.95
IUPAC Namebromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCBr.NS(=O)(=O)c1nn2cc(-c3ccncc3)nc2s1
InChIInChI=1S/C9H7N5O2S2.CH3Br/c10-18(15,16)9-13-14-5-7(12-8(14)17-9)6-1-3-11-4-2-6;1-2/h1-5H,(H2,10,15,16);1H3
InChIKeyNNNQURSFRLTMMF-UHFFFAOYSA-N
XLogP1.51
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 91559737) is bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is CBr.NS(=O)(=O)c1nn2cc(-c3ccncc3)nc2s1.
What is the InChIKey of bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is NNNQURSFRLTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2S2.CH3Br/c10-18(15,16)9-13-14-5-7(12-8(14)17-9)6-1-3-11-4-2-6;1-2/h1-5H,(H2,10,15,16);1H3.
What are the key properties of bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 376.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 91559737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).