tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine

C70H68ClF9N12O4S6 — CID 157081480

About tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine

tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 157081480) has the molecular formula C70H68ClF9N12O4S6 and a molecular weight of 1540.23 g/mol. Its IUPAC name is tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
• PubChem CID: 157081480
• Molecular Formula: C70H68ClF9N12O4S6
• Molecular Weight: 1540.23 g/mol
• Exact Mass: 1538.34
• IUPAC Name: tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
• SMILES: CC1C(c2cc3c(Cl)c(F)cnc3s2)CCCN1C(=O)OC(C)(C)C.CC1C(c2cc3c(Nc4c(F)cc5scnc5c4F)c(F)cnc3s2)CCCN1C(=O)OC(C)(C)C.CC1NCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)c(F)cnc2s1.Nc1c(F)cc2scnc2c1F
• InChI: InChI=1S/C25H25F3N4O2S2.C20H17F3N4S2.C18H22ClFN2O2S.C7H4F2N2S/c1-12-13(6-5-7-32(12)24(33)34-25(2,3)4)17-8-14-20(16(27)10-29-23(14)36-17)31-21-15(26)9-18-22(19(21)28)30-11-35-18;1-9-10(3-2-4-24-9)14-5-11-17(13(22)7-25-20(11)29-14)27-18-12(21)6-15-19(16(18)23)26-8-28-15;1-10-11(6-5-7-22(10)17(23)24-18(2,3)4)14-8-12-15(19)13(20)9-21-16(12)25-14;8-3-1-4-7(11-2-12-4)5(9)6(3)10/h8-13H,5-7H2,1-4H3,(H,29,31);5-10,24H,2-4H2,1H3,(H,25,27);8-11H,5-7H2,1-4H3;1-2H,10H2
• InChIKey: ADPDVPMAWQLQNE-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 198.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.23
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?

The IUPAC name of tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine (CID 157081480) is tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine.

What is the SMILES notation for tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?

The canonical SMILES for tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is CC1C(c2cc3c(Cl)c(F)cnc3s2)CCCN1C(=O)OC(C)(C)C.CC1C(c2cc3c(Nc4c(F)cc5scnc5c4F)c(F)cnc3s2)CCCN1C(=O)OC(C)(C)C.CC1NCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)c(F)cnc2s1.Nc1c(F)cc2scnc2c1F.

What is the InChIKey of tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?

The InChIKey is ADPDVPMAWQLQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2S2.C20H17F3N4S2.C18H22ClFN2O2S.C7H4F2N2S/c1-12-13(6-5-7-32(12)24(33)34-25(2,3)4)17-8-14-20(16(27)10-29-23(14)36-17)31-21-15(26)9-18-22(19(21)28)30-11-35-18;1-9-10(3-2-4-24-9)14-5-11-17(13(22)7-25-20(11)29-14)27-18-12(21)6-15-19(16(18)23)26-8-28-15;1-10-11(6-5-7-22(10)17(23)24-18(2,3)4)14-8-12-15(19)13(20)9-21-16(12)25-14;8-3-1-4-7(11-2-12-4)5(9)6(3)10/h8-13H,5-7H2,1-4H3,(H,29,31);5-10,24H,2-4H2,1H3,(H,25,27);8-11H,5-7H2,1-4H3;1-2H,10H2.

What are the key properties of tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine?

tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 1540.23 g/mol, XLogP of 21.24, 7 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(4-chloro-5-fluorothieno[2,3-b]pyridin-2-yl)-2-methylpiperidine-1-carboxylate;tert-butyl 3-[4-[(4,6-difluoro-1,3-benzothiazol-5-yl)amino]-5-fluorothieno[2,3-b]pyridin-2-yl]-2-methylpiperidine-1-carboxylate;4,6-difluoro-1,3-benzothiazol-5-amine;N-(4,6-difluoro-1,3-benzothiazol-5-yl)-5-fluoro-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157081480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).