N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

C60H55BBrClF2N12O9S5 — CID 159315027

IUPACN-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N)n3)cc2s1.CC(=O)Nc1nc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4F)n3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.Nc1cccc(Br)n1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C20H15FN4O3S2.C15H19BN2O3S.C14H12N4OS.C6H4ClFO2S.C5H5BrN2/c1-12(26)22-20-24-16-10-9-13(11-17(16)29-20)15-6-4-8-19(23-15)25-30(27,28)18-7-3-2-5-14(18)21;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-8(19)16-14-18-11-6-5-9(7-12(11)20-14)10-3-2-4-13(15)17-10;7-11(9,10)6-4-2-1-3-5(6)8;6-4-2-1-3-5(7)8-4/h2-11H,1H3,(H,23,25)(H,22,24,26);6-8H,1-5H3,(H,17,18,19);2-7H,1H3,(H2,15,17)(H,16,18,19);1-4H;1-3H,(H2,7,8)
InChIKeyLDAJNCORHDOTHG-UHFFFAOYSA-N
MW1412.67 g/mol
LogP12.89
Rot. Bonds10

About N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 159315027) has the molecular formula C60H55BBrClF2N12O9S5 and a molecular weight of 1412.67 g/mol. Its IUPAC name is N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID159315027
Molecular FormulaC60H55BBrClF2N12O9S5
Molecular Weight1412.67 g/mol
Exact Mass1410.18
IUPAC NameN-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(N)n3)cc2s1.CC(=O)Nc1nc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4F)n3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.Nc1cccc(Br)n1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C20H15FN4O3S2.C15H19BN2O3S.C14H12N4OS.C6H4ClFO2S.C5H5BrN2/c1-12(26)22-20-24-16-10-9-13(11-17(16)29-20)15-6-4-8-19(23-15)25-30(27,28)18-7-3-2-5-14(18)21;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-8(19)16-14-18-11-6-5-9(7-12(11)20-14)10-3-2-4-13(15)17-10;7-11(9,10)6-4-2-1-3-5(6)8;6-4-2-1-3-5(7)8-4/h2-11H,1H3,(H,23,25)(H,22,24,26);6-8H,1-5H3,(H,17,18,19);2-7H,1H3,(H2,15,17)(H,16,18,19);1-4H;1-3H,(H2,7,8)
InChIKeyLDAJNCORHDOTHG-UHFFFAOYSA-N
XLogP12.89
TPSA315.45 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.67
LogP ≤ 512.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide with MolForge

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Related Compounds

acetyl isothiocyanate;N-[6-(5-amino-3-pyridinyl)-4-fluoro-1,3-benzothiazol-2-yl]acetamide;4-bromo-2,6-difluoroaniline;N-[(4-bromo-2,6-difluorophenyl)carbamothioyl]acetamide;N-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)acetamide;5-bromopyridin-3-amine;N-[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide;N-[4-fluoro-6-[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;4-(trifluoromethyl)benzenesulfonyl chloride
CID 159085872
2-chloro-6-(2-fluorophenyl)sulfanylpyridine;2-chloro-6-(2-fluorophenyl)sulfonylpyridine;2,6-dichloropyridine;2-fluorobenzenethiol;N-[6-[6-(2-fluorophenyl)sulfonyl-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 158688473
2-chloro-6-(4-fluorophenyl)sulfanylpyridine;2-chloro-6-(4-fluorophenyl)sulfonylpyridine;N-[6-[6-(4-fluorophenyl)sulfonyl-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 159437729
N-[6-(5-amino-6-chloro-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;5-bromo-2-chloropyridin-3-amine;4-chlorobenzenesulfonyl chloride;N-[6-[6-chloro-5-[(4-chlorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;pyridine;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 160668097
5-bromo-N,N,4-trimethylpyridin-2-amine;cis-(1S,2S)-N-[6-[6-(dimethylamino)-4-methyl-3-pyridinyl]-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(6-(18F)fluoro-4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1,3-benzothiazol-6-yl]-4-methyl-2-pyridinyl]-trimethylazanium
CID 164963293

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 159315027) is N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cccc(N)n3)cc2s1.CC(=O)Nc1nc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4F)n3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.Nc1cccc(Br)n1.O=S(=O)(Cl)c1ccccc1F.
What is the InChIKey of N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is LDAJNCORHDOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S2.C15H19BN2O3S.C14H12N4OS.C6H4ClFO2S.C5H5BrN2/c1-12(26)22-20-24-16-10-9-13(11-17(16)29-20)15-6-4-8-19(23-15)25-30(27,28)18-7-3-2-5-14(18)21;1-9(19)17-13-18-11-7-6-10(8-12(11)22-13)16-20-14(2,3)15(4,5)21-16;1-8(19)16-14-18-11-6-5-9(7-12(11)20-14)10-3-2-4-13(15)17-10;7-11(9,10)6-4-2-1-3-5(6)8;6-4-2-1-3-5(7)8-4/h2-11H,1H3,(H,23,25)(H,22,24,26);6-8H,1-5H3,(H,17,18,19);2-7H,1H3,(H2,15,17)(H,16,18,19);1-4H;1-3H,(H2,7,8).
What are the key properties of N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1412.67 g/mol, XLogP of 12.89, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromopyridin-2-amine;2-fluorobenzenesulfonyl chloride;N-[6-[6-[(2-fluorophenyl)sulfonylamino]-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 159315027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).