6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine

C61H58Br2F2N8O3S4 — CID 162265983

About 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine

6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine (PubChem CID 162265983) has the molecular formula C61H58Br2F2N8O3S4 and a molecular weight of 1277.26 g/mol. Its IUPAC name is 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine
• PubChem CID: 162265983
• Molecular Formula: C61H58Br2F2N8O3S4
• Molecular Weight: 1277.26 g/mol
• Exact Mass: 1274.18
• IUPAC Name: 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine
• SMILES: Cc1ccc2nc(N)sc2c1.Cc1cccc(C)c1-c1ccc2nc(N)sc2c1.Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1cccc(C)c1Br.Nc1nc2ccc(Br)cc2s1.O=C(O)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C19H17FN2OS.C15H14N2S.C8H9Br.C8H8N2S.C7H5BrN2S.C4H5FO2/c1-10-4-3-5-11(2)17(10)12-6-7-15-16(8-12)24-19(21-15)22-18(23)13-9-14(13)20;1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-15(16)17-12;1-6-4-3-5-7(2)8(6)9;1-5-2-3-6-7(4-5)11-8(9)10-6;8-4-1-2-5-6(3-4)11-7(9)10-5;5-3-1-2(3)4(6)7/h3-8,13-14H,9H2,1-2H3,(H,21,22,23);3-8H,1-2H3,(H2,16,17);3-5H,1-2H3;2-4H,1H3,(H2,9,10);1-3H,(H2,9,10);2-3H,1H2,(H,6,7)/t13-,14+;;;;;2-,3+/m1....1/s1
• InChIKey: ZZXFGOCXHAKTMH-GPJFUCAQSA-N
• XLogP: 17.36
• TPSA: 196.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.26
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine?

The IUPAC name of 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine (CID 162265983) is 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine.

What is the SMILES notation for 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine?

The canonical SMILES for 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(N)sc2c1.Cc1cccc(C)c1-c1ccc2nc(N)sc2c1.Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1cccc(C)c1Br.Nc1nc2ccc(Br)cc2s1.O=C(O)[C@@H]1C[C@@H]1F.

What is the InChIKey of 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine?

The InChIKey is ZZXFGOCXHAKTMH-GPJFUCAQSA-N. The full InChI is InChI=1S/C19H17FN2OS.C15H14N2S.C8H9Br.C8H8N2S.C7H5BrN2S.C4H5FO2/c1-10-4-3-5-11(2)17(10)12-6-7-15-16(8-12)24-19(21-15)22-18(23)13-9-14(13)20;1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-15(16)17-12;1-6-4-3-5-7(2)8(6)9;1-5-2-3-6-7(4-5)11-8(9)10-6;8-4-1-2-5-6(3-4)11-7(9)10-5;5-3-1-2(3)4(6)7/h3-8,13-14H,9H2,1-2H3,(H,21,22,23);3-8H,1-2H3,(H2,16,17);3-5H,1-2H3;2-4H,1H3,(H2,9,10);1-3H,(H2,9,10);2-3H,1H2,(H,6,7)/t13-,14+;;;;;2-,3+/m1....1/s1.

What are the key properties of 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine?

6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 1277.26 g/mol, XLogP of 17.36, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1,3-benzothiazol-2-amine;2-bromo-1,3-dimethylbenzene;cis-(1S,2S)-N-[6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;6-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162265983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).