6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride

C73H73BBr2Cl2F2N18O9S5 — CID 161204644

About 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride

6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride (PubChem CID 161204644) has the molecular formula C73H73BBr2Cl2F2N18O9S5 and a molecular weight of 1786.36 g/mol. Its IUPAC name is 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride
• PubChem CID: 161204644
• Molecular Formula: C73H73BBr2Cl2F2N18O9S5
• Molecular Weight: 1786.36 g/mol
• Exact Mass: 1782.22
• IUPAC Name: 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride
• SMILES: CC(C)(C)OC(=O)Nc1nc2ccc(Br)cc2s1.Cc1ccncc1-c1cnc2nc(N)sc2c1.Cc1ccncc1-c1cnc2nc(NC(=O)OC(C)(C)C)sc2c1.Cc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1ccncc1B(O)O.Cl.Cl.Nc1nc2ncc(Br)cc2s1.O=C(O)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C17H18N4O2S.C16H13FN4OS.C12H13BrN2O2S.C12H10N4S.C6H8BNO2.C6H4BrN3S.C4H5FO2.2ClH/c1-10-5-6-18-9-12(10)11-7-13-14(19-8-11)20-15(24-13)21-16(22)23-17(2,3)4;1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17;1-12(2,3)17-11(16)15-10-14-8-5-4-7(13)6-9(8)18-10;1-7-2-3-14-6-9(7)8-4-10-11(15-5-8)16-12(13)17-10;1-5-2-3-8-4-6(5)7(9)10;7-3-1-4-5(9-2-3)10-6(8)11-4;5-3-1-2(3)4(6)7;;/h5-9H,1-4H3,(H,19,20,21,22);2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22);4-6H,1-3H3,(H,14,15,16);2-6H,1H3,(H2,13,15,16);2-4,9-10H,1H3;1-2H,(H2,8,9,10);2-3H,1H2,(H,6,7);2*1H/t;10-,12+;;;;;2-,3+;;/m.1....1../s1
• InChIKey: SPVFBRKDSBQLIO-KXLFVDBRSA-N
• XLogP: 17.20
• TPSA: 403.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1786.36
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride?

The IUPAC name of 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride (CID 161204644) is 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride.

What is the SMILES notation for 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride?

The canonical SMILES for 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride is CC(C)(C)OC(=O)Nc1nc2ccc(Br)cc2s1.Cc1ccncc1-c1cnc2nc(N)sc2c1.Cc1ccncc1-c1cnc2nc(NC(=O)OC(C)(C)C)sc2c1.Cc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.Cc1ccncc1B(O)O.Cl.Cl.Nc1nc2ncc(Br)cc2s1.O=C(O)[C@@H]1C[C@@H]1F.

What is the InChIKey of 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride?

The InChIKey is SPVFBRKDSBQLIO-KXLFVDBRSA-N. The full InChI is InChI=1S/C17H18N4O2S.C16H13FN4OS.C12H13BrN2O2S.C12H10N4S.C6H8BNO2.C6H4BrN3S.C4H5FO2.2ClH/c1-10-5-6-18-9-12(10)11-7-13-14(19-8-11)20-15(24-13)21-16(22)23-17(2,3)4;1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17;1-12(2,3)17-11(16)15-10-14-8-5-4-7(13)6-9(8)18-10;1-7-2-3-14-6-9(7)8-4-10-11(15-5-8)16-12(13)17-10;1-5-2-3-8-4-6(5)7(9)10;7-3-1-4-5(9-2-3)10-6(8)11-4;5-3-1-2(3)4(6)7;;/h5-9H,1-4H3,(H,19,20,21,22);2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22);4-6H,1-3H3,(H,14,15,16);2-6H,1H3,(H2,13,15,16);2-4,9-10H,1H3;1-2H,(H2,8,9,10);2-3H,1H2,(H,6,7);2*1H/t;10-,12+;;;;;2-,3+;;/m.1....1../s1.

What are the key properties of 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride?

6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride has a molecular weight of 1786.36 g/mol, XLogP of 17.20, 9 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-[1,3]thiazolo[4,5-b]pyridin-2-amine;tert-butyl N-(6-bromo-1,3-benzothiazol-2-yl)carbamate;tert-butyl N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamate;cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid;cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide;(4-methyl-3-pyridinyl)boronic acid;6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 161204644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).