4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine

C120H102F12N24S12 — CID 157197831

About 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine

4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 157197831) has the molecular formula C120H102F12N24S12 and a molecular weight of 2493.08 g/mol. Its IUPAC name is 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

• Compound Name: 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine
• PubChem CID: 157197831
• Molecular Formula: C120H102F12N24S12
• Molecular Weight: 2493.08 g/mol
• Exact Mass: 2490.52
• IUPAC Name: 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine
• SMILES: CC1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.CC1NCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1
• InChI: InChI=1S/3C20H18F2N4S2.3C20H16F2N4S2/c6*1-10-11(3-2-5-23-10)15-7-12-14(4-6-24-20(12)28-15)26-18-13(21)8-16-19(17(18)22)25-9-27-16/h3*4,6-11,23H,2-3,5H2,1H3,(H,24,26);3*3-4,6-10,23H,2,5H2,1H3,(H,24,26)/t10-,11+;10-,11-;;2*10-;/m01.10./s1
• InChIKey: AQLLKBABDYGBMJ-XWMFCROHSA-N
• XLogP: 34.43
• TPSA: 299.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2493.08
LogP ≤ 5	34.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?

The IUPAC name of 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine (CID 157197831) is 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine.

What is the SMILES notation for 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?

The canonical SMILES for 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine is CC1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.CC1NCCCC1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC=C1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.C[C@H]1NCCC[C@H]1c1cc2c(Nc3c(F)cc4scnc4c3F)ccnc2s1.

What is the InChIKey of 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?

The InChIKey is AQLLKBABDYGBMJ-XWMFCROHSA-N. The full InChI is InChI=1S/3C20H18F2N4S2.3C20H16F2N4S2/c6*1-10-11(3-2-5-23-10)15-7-12-14(4-6-24-20(12)28-15)26-18-13(21)8-16-19(17(18)22)25-9-27-16/h3*4,6-11,23H,2-3,5H2,1H3,(H,24,26);3*3-4,6-10,23H,2,5H2,1H3,(H,24,26)/t10-,11+;10-,11-;;2*10-;/m01.10./s1.

What are the key properties of 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?

4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 2493.08 g/mol, XLogP of 34.43, 18 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-difluoro-N-[2-[(2R,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(2S,3R)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine;4,6-difluoro-N-[2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-5-yl]thieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 157197831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).