5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

C11H14BrN5O2S2 — CID 61480970

IUPAC5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2NN)n1
InChIInChI=1S/C11H14BrN5O2S2/c1-6(2)8-5-20-11(15-8)17-21(18,19)9-3-7(12)4-14-10(9)16-13/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZWCITVDVQSFABW-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.51
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 61480970) has the molecular formula C11H14BrN5O2S2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID61480970
Molecular FormulaC11H14BrN5O2S2
Molecular Weight392.30 g/mol
Exact Mass390.98
IUPAC Name5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2NN)n1
InChIInChI=1S/C11H14BrN5O2S2/c1-6(2)8-5-20-11(15-8)17-21(18,19)9-3-7(12)4-14-10(9)16-13/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZWCITVDVQSFABW-UHFFFAOYSA-N
XLogP2.51
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62159091
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479389
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 65436185
5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298536
2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62158298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 61480970) is 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is CC(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2NN)n1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is ZWCITVDVQSFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2S2/c1-6(2)8-5-20-11(15-8)17-21(18,19)9-3-7(12)4-14-10(9)16-13/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 392.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61480970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).