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

C11H11BrN4O2S2 — CID 62158298

IUPAC2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H11BrN4O2S2/c12-7-3-9(10(13)14-4-7)20(17,18)16-11-15-8(5-19-11)6-1-2-6/h3-6H,1-2H2,(H2,13,14)(H,15,16)
InChIKeyXKZIHPABHWDPPT-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.56
Rot. Bonds4

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

2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 62158298) has the molecular formula C11H11BrN4O2S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID62158298
Molecular FormulaC11H11BrN4O2S2
Molecular Weight375.27 g/mol
Exact Mass373.95
IUPAC Name2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H11BrN4O2S2/c12-7-3-9(10(13)14-4-7)20(17,18)16-11-15-8(5-19-11)6-1-2-6/h3-6H,1-2H2,(H2,13,14)(H,15,16)
InChIKeyXKZIHPABHWDPPT-UHFFFAOYSA-N
XLogP2.56
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62159091
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-4-sulfonamide
CID 62158122
4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479708
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157575
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 61480808
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106053658
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327011
2-chloro-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 167879332
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide
CID 61479839
6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 115606342

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 62158298) is 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is XKZIHPABHWDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S2/c12-7-3-9(10(13)14-4-7)20(17,18)16-11-15-8(5-19-11)6-1-2-6/h3-6H,1-2H2,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 375.27 g/mol, XLogP of 2.56, 4 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-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62158298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).