[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate

C91H84F3N13O12S3 — CID 159217208

About [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate

[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate (PubChem CID 159217208) has the molecular formula C91H84F3N13O12S3 and a molecular weight of 1704.95 g/mol. Its IUPAC name is [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate.

Molecular Properties

• Compound Name: [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate
• PubChem CID: 159217208
• Molecular Formula: C91H84F3N13O12S3
• Molecular Weight: 1704.95 g/mol
• Exact Mass: 1703.55
• IUPAC Name: [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate
• SMILES: CCc1ccc(NC(=O)O[C@H]2CCCC[C@H]2Oc2cc3sc(-c4cc(C)cc5nc(OC)cnc45)nc3cc2F)cn1.COc1cnc2c(-c3nc4cc(F)c(O[C@@H]5CCCC[C@@H]5OC(=O)Nc5ccccc5)cc4s3)cc(C)cc2n1.COc1cnc2c(-c3nc4cc(F)c(O[C@H]5CCCC[C@H]5OC(=O)Nc5ccccc5)cc4s3)cc(C)cc2n1
• InChI: InChI=1S/C31H30FN5O4S.2C30H27FN4O4S/c1-4-18-9-10-19(15-33-18)35-31(38)41-25-8-6-5-7-24(25)40-26-14-27-22(13-21(26)32)37-30(42-27)20-11-17(2)12-23-29(20)34-16-28(36-23)39-3;2*1-17-12-19(28-22(13-17)34-27(37-2)16-32-28)29-35-21-14-20(31)25(15-26(21)40-29)38-23-10-6-7-11-24(23)39-30(36)33-18-8-4-3-5-9-18/h9-16,24-25H,4-8H2,1-3H3,(H,35,38);2*3-5,8-9,12-16,23-24H,6-7,10-11H2,1-2H3,(H,33,36)/t24-,25+;2*23-,24+/m110/s1
• InChIKey: KRFLMYRSHBENJH-GOUVLOQNSA-N
• XLogP: 21.86
• TPSA: 299.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.95
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate?

The IUPAC name of [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate (CID 159217208) is [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate.

What is the SMILES notation for [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate?

The canonical SMILES for [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate is CCc1ccc(NC(=O)O[C@H]2CCCC[C@H]2Oc2cc3sc(-c4cc(C)cc5nc(OC)cnc45)nc3cc2F)cn1.COc1cnc2c(-c3nc4cc(F)c(O[C@@H]5CCCC[C@@H]5OC(=O)Nc5ccccc5)cc4s3)cc(C)cc2n1.COc1cnc2c(-c3nc4cc(F)c(O[C@H]5CCCC[C@H]5OC(=O)Nc5ccccc5)cc4s3)cc(C)cc2n1.

What is the InChIKey of [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate?

The InChIKey is KRFLMYRSHBENJH-GOUVLOQNSA-N. The full InChI is InChI=1S/C31H30FN5O4S.2C30H27FN4O4S/c1-4-18-9-10-19(15-33-18)35-31(38)41-25-8-6-5-7-24(25)40-26-14-27-22(13-21(26)32)37-30(42-27)20-11-17(2)12-23-29(20)34-16-28(36-23)39-3;2*1-17-12-19(28-22(13-17)34-27(37-2)16-32-28)29-35-21-14-20(31)25(15-26(21)40-29)38-23-10-6-7-11-24(23)39-30(36)33-18-8-4-3-5-9-18/h9-16,24-25H,4-8H2,1-3H3,(H,35,38);2*3-5,8-9,12-16,23-24H,6-7,10-11H2,1-2H3,(H,33,36)/t24-,25+;2*23-,24+/m110/s1.

What are the key properties of [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate?

[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate has a molecular weight of 1704.95 g/mol, XLogP of 21.86, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-(6-ethyl-3-pyridinyl)carbamate;[(1R,2S)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate;[(1S,2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 159217208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).