2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine

C67H61F3N12O3S6 — CID 159835218

About 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine

2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 159835218) has the molecular formula C67H61F3N12O3S6 and a molecular weight of 1331.70 g/mol. Its IUPAC name is 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
• PubChem CID: 159835218
• Molecular Formula: C67H61F3N12O3S6
• Molecular Weight: 1331.70 g/mol
• Exact Mass: 1330.33
• IUPAC Name: 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
• SMILES: CCN1CC=C(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOC2.CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOC2.Fc1cc2scnc2cc1Nc1ccnc2sc(C3=CCNC34CCOC4)cc12
• InChI: InChI=1S/C23H23FN4OS2.C23H21FN4OS2.C21H17FN4OS2/c2*1-2-28-7-4-15(23(28)5-8-29-12-23)20-9-14-17(3-6-25-22(14)31-20)27-18-11-19-21(10-16(18)24)30-13-26-19;22-14-8-19-17(24-11-28-19)9-16(14)26-15-2-4-23-20-12(15)7-18(29-20)13-1-5-25-21(13)3-6-27-10-21/h3,6,9-11,13,15H,2,4-5,7-8,12H2,1H3,(H,25,27);3-4,6,9-11,13H,2,5,7-8,12H2,1H3,(H,25,27);1-2,4,7-9,11,25H,3,5-6,10H2,(H,23,26)
• InChIKey: NNZDSUFBOGAKTI-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 159.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.70
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?

The IUPAC name of 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine (CID 159835218) is 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine.

What is the SMILES notation for 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?

The canonical SMILES for 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine is CCN1CC=C(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOC2.CCN1CCC(c2cc3c(Nc4cc5ncsc5cc4F)ccnc3s2)C12CCOC2.Fc1cc2scnc2cc1Nc1ccnc2sc(C3=CCNC34CCOC4)cc12.

What is the InChIKey of 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?

The InChIKey is NNZDSUFBOGAKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS2.C23H21FN4OS2.C21H17FN4OS2/c2*1-2-28-7-4-15(23(28)5-8-29-12-23)20-9-14-17(3-6-25-22(14)31-20)27-18-11-19-21(10-16(18)24)30-13-26-19;22-14-8-19-17(24-11-28-19)9-16(14)26-15-2-4-23-20-12(15)7-18(29-20)13-1-5-25-21(13)3-6-27-10-21/h3,6,9-11,13,15H,2,4-5,7-8,12H2,1H3,(H,25,27);3-4,6,9-11,13H,2,5,7-8,12H2,1H3,(H,25,27);1-2,4,7-9,11,25H,3,5-6,10H2,(H,23,26).

What are the key properties of 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?

2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 1331.70 g/mol, XLogP of 16.36, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-(1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(6-fluoro-1,3-benzothiazol-5-yl)-2-(7-oxa-1-azaspiro[4.4]non-3-en-4-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 159835218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).