N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

C78H84BBr3N16O9S5 — CID 161377618

About N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 161377618) has the molecular formula C78H84BBr3N16O9S5 and a molecular weight of 1800.49 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 161377618
• Molecular Formula: C78H84BBr3N16O9S5
• Molecular Weight: 1800.49 g/mol
• Exact Mass: 1796.29
• IUPAC Name: N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: C.CC(=O)Nc1nc2ccc(-c3cnc(C)c(N)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)CC4CC4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CC(=O)Nc1nc2ccc(Br)cc2s1.Cc1ncc(Br)cc1N.Nc1nc2ccc(Br)cc2s1.O=C(O)CC1CC1
• InChI: InChI=1S/C20H20N4O2S.C15H19BN2O3S.C15H14N4OS.C9H7BrN2OS.C7H5BrN2S.C6H7BrN2.C5H8O2.CH4/c1-11-17(23-19(26)7-13-3-4-13)8-15(10-21-11)14-5-6-16-18(9-14)27-20(24-16)22-12(2)25;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;1-8-12(16)5-11(7-17-8)10-3-4-13-14(6-10)21-15(19-13)18-9(2)20;1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9;8-4-1-2-5-6(3-4)11-7(9)10-5;1-4-6(8)2-5(7)3-9-4;6-5(7)3-4-1-2-4;/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,23,26)(H,22,24,25);6-8H,1-5H3,(H,17,18,19);3-7H,16H2,1-2H3,(H,18,19,20);2-4H,1H3,(H,11,12,13);1-3H,(H2,9,10);2-3H,8H2,1H3;4H,1-3H2,(H,6,7);1H4
• InChIKey: VRHADMWZNKUFOG-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 382.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.49
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 161377618) is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;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-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is C.CC(=O)Nc1nc2ccc(-c3cnc(C)c(N)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)CC4CC4)c3)cc2s1.CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1.CC(=O)Nc1nc2ccc(Br)cc2s1.Cc1ncc(Br)cc1N.Nc1nc2ccc(Br)cc2s1.O=C(O)CC1CC1.

What is the InChIKey of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is VRHADMWZNKUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.C15H19BN2O3S.C15H14N4OS.C9H7BrN2OS.C7H5BrN2S.C6H7BrN2.C5H8O2.CH4/c1-11-17(23-19(26)7-13-3-4-13)8-15(10-21-11)14-5-6-16-18(9-14)27-20(24-16)22-12(2)25;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;1-8-12(16)5-11(7-17-8)10-3-4-13-14(6-10)21-15(19-13)18-9(2)20;1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9;8-4-1-2-5-6(3-4)11-7(9)10-5;1-4-6(8)2-5(7)3-9-4;6-5(7)3-4-1-2-4;/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,23,26)(H,22,24,25);6-8H,1-5H3,(H,17,18,19);3-7H,16H2,1-2H3,(H,18,19,20);2-4H,1H3,(H,11,12,13);1-3H,(H2,9,10);2-3H,8H2,1H3;4H,1-3H2,(H,6,7);1H4.

What are the key properties of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide?

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1800.49 g/mol, XLogP of 19.03, 12 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-cyclopropylacetamide;N-[6-(5-amino-6-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide;6-bromo-1,3-benzothiazol-2-amine;N-(6-bromo-1,3-benzothiazol-2-yl)acetamide;5-bromo-2-methylpyridin-3-amine;2-cyclopropylacetic acid;methane;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 161377618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).