2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide

C66H92B3Br2N15O14S7 — CID 167685412

About 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide

2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide (PubChem CID 167685412) has the molecular formula C66H92B3Br2N15O14S7 and a molecular weight of 1736.27 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
• PubChem CID: 167685412
• Molecular Formula: C66H92B3Br2N15O14S7
• Molecular Weight: 1736.27 g/mol
• Exact Mass: 1733.36
• IUPAC Name: 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide
• SMILES: CC1(C)OB(c2cnc(CBr)s2)OC1(C)C.CC1(C)OB(c2cnc(CN3CCS(=O)(=O)CC3)s2)OC1(C)C.Cc1ncc(B2OC(C)(C)C(C)(C)O2)s1.O=C(Nc1nc2cccc(-c3cnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C18H20N6O3S2.C14H23BN2O4S2.C10H15BBrNO2S.C10H16BNO2S.C10H9BrN4O.C4H9NO2S/c25-17(12-4-5-12)21-18-20-15-3-1-2-13(24(15)22-18)14-10-19-16(28-14)11-23-6-8-29(26,27)9-7-23;1-13(2)14(3,4)21-15(20-13)11-9-16-12(22-11)10-17-5-7-23(18,19)8-6-17;1-9(2)10(3,4)15-11(14-9)7-6-13-8(5-12)16-7;1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;6-8(7)3-1-5-2-4-8/h1-3,10,12H,4-9,11H2,(H,21,22,25);9H,5-8,10H2,1-4H3;6H,5H2,1-4H3;6H,1-5H3;1-3,6H,4-5H2,(H,13,14,16);5H,1-4H2
• InChIKey: WDIBMOBZXXUHIA-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 346.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.27
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?

The IUPAC name of 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide (CID 167685412) is 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide is CC1(C)OB(c2cnc(CBr)s2)OC1(C)C.CC1(C)OB(c2cnc(CN3CCS(=O)(=O)CC3)s2)OC1(C)C.Cc1ncc(B2OC(C)(C)C(C)(C)O2)s1.O=C(Nc1nc2cccc(-c3cnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=S1(=O)CCNCC1.

What is the InChIKey of 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?

The InChIKey is WDIBMOBZXXUHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S2.C14H23BN2O4S2.C10H15BBrNO2S.C10H16BNO2S.C10H9BrN4O.C4H9NO2S/c25-17(12-4-5-12)21-18-20-15-3-1-2-13(24(15)22-18)14-10-19-16(28-14)11-23-6-8-29(26,27)9-7-23;1-13(2)14(3,4)21-15(20-13)11-9-16-12(22-11)10-17-5-7-23(18,19)8-6-17;1-9(2)10(3,4)15-11(14-9)7-6-13-8(5-12)16-7;1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6;6-8(7)3-1-5-2-4-8/h1-3,10,12H,4-9,11H2,(H,21,22,25);9H,5-8,10H2,1-4H3;6H,5H2,1-4H3;6H,1-5H3;1-3,6H,4-5H2,(H,13,14,16);5H,1-4H2.

What are the key properties of 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide?

2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide has a molecular weight of 1736.27 g/mol, XLogP of 7.04, 13 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;N-[5-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167685412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).