2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

C12H15BrN4O2S2 — CID 62159091

IUPAC2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C12H15BrN4O2S2/c1-12(2,3)9-6-20-11(16-9)17-21(18,19)8-4-7(13)5-15-10(8)14/h4-6H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyWURSYHDTWTVUEU-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 62159091) has the molecular formula C12H15BrN4O2S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID62159091
Molecular FormulaC12H15BrN4O2S2
Molecular Weight391.32 g/mol
Exact Mass389.98
IUPAC Name2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C12H15BrN4O2S2/c1-12(2,3)9-6-20-11(16-9)17-21(18,19)8-4-7(13)5-15-10(8)14/h4-6H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyWURSYHDTWTVUEU-UHFFFAOYSA-N
XLogP2.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62158298
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158728
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 61480970
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878
N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
CID 63874771
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
2-amino-5-bromo-N-(2-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 62162619

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 62159091) is 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2cc(Br)cnc2N)n1.
What is the InChIKey of 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is WURSYHDTWTVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S2/c1-12(2,3)9-6-20-11(16-9)17-21(18,19)8-4-7(13)5-15-10(8)14/h4-6H,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 391.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62159091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).