6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane

C63H64BBr3F4N10O9S4 — CID 161351320

About 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane

6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane (PubChem CID 161351320) has the molecular formula C63H64BBr3F4N10O9S4 and a molecular weight of 1560.05 g/mol. Its IUPAC name is 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane.

Molecular Properties

• Compound Name: 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane
• PubChem CID: 161351320
• Molecular Formula: C63H64BBr3F4N10O9S4
• Molecular Weight: 1560.05 g/mol
• Exact Mass: 1556.13
• IUPAC Name: 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane
• SMILES: C.C.CC1OB(c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)OC1(C)C.COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.COc1ccncc1Br.Nc1nc2ccc(Br)cc2s1.O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@@H]1F.O=C(O)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C17H14FN3O2S.C16H18BFN2O3S.C11H8BrFN2OS.C7H5BrN2S.C6H6BrNO.C4H5FO2.2CH4/c1-23-14-4-5-19-8-11(14)9-2-3-13-15(6-9)24-17(20-13)21-16(22)10-7-12(10)18;1-8-16(2,3)23-17(22-8)9-4-5-12-13(6-9)24-15(19-12)20-14(21)10-7-11(10)18;12-5-1-2-8-9(3-5)17-11(14-8)15-10(16)6-4-7(6)13;8-4-1-2-5-6(3-4)11-7(9)10-5;1-9-6-2-3-8-4-5(6)7;5-3-1-2(3)4(6)7;;/h2-6,8,10,12H,7H2,1H3,(H,20,21,22);4-6,8,10-11H,7H2,1-3H3,(H,19,20,21);1-3,6-7H,4H2,(H,14,15,16);1-3H,(H2,9,10);2-4H,1H3;2-3H,1H2,(H,6,7);2*1H4/t10-,12+;8?,10-,11+;6-,7+;;;2-,3+;;/m111..1../s1
• InChIKey: VNYSMIPGUNBCQV-WEUWQHLISA-N
• XLogP: 15.72
• TPSA: 264.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.05
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane?

The IUPAC name of 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane (CID 161351320) is 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane.

What is the SMILES notation for 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane?

The canonical SMILES for 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane is C.C.CC1OB(c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)OC1(C)C.COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.COc1ccncc1Br.Nc1nc2ccc(Br)cc2s1.O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@@H]1F.O=C(O)[C@@H]1C[C@@H]1F.

What is the InChIKey of 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane?

The InChIKey is VNYSMIPGUNBCQV-WEUWQHLISA-N. The full InChI is InChI=1S/C17H14FN3O2S.C16H18BFN2O3S.C11H8BrFN2OS.C7H5BrN2S.C6H6BrNO.C4H5FO2.2CH4/c1-23-14-4-5-19-8-11(14)9-2-3-13-15(6-9)24-17(20-13)21-16(22)10-7-12(10)18;1-8-16(2,3)23-17(22-8)9-4-5-12-13(6-9)24-15(19-12)20-14(21)10-7-11(10)18;12-5-1-2-8-9(3-5)17-11(14-8)15-10(16)6-4-7(6)13;8-4-1-2-5-6(3-4)11-7(9)10-5;1-9-6-2-3-8-4-5(6)7;5-3-1-2(3)4(6)7;;/h2-6,8,10,12H,7H2,1H3,(H,20,21,22);4-6,8,10-11H,7H2,1-3H3,(H,19,20,21);1-3,6-7H,4H2,(H,14,15,16);1-3H,(H2,9,10);2-4H,1H3;2-3H,1H2,(H,6,7);2*1H4/t10-,12+;8?,10-,11+;6-,7+;;;2-,3+;;/m111..1../s1.

What are the key properties of 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane?

6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane has a molecular weight of 1560.05 g/mol, XLogP of 15.72, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1,3-benzothiazol-2-amine;3-bromo-4-methoxypyridine;cis-(1S,2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;cis-(1S,2S)-2-fluoro-N-[6-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide;methane is sourced from PubChem (CID 161351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).