N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

C135H147F3N24O3S12 — CID 158058763

About N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 158058763) has the molecular formula C135H147F3N24O3S12 and a molecular weight of 2595.62 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
• PubChem CID: 158058763
• Molecular Formula: C135H147F3N24O3S12
• Molecular Weight: 2595.62 g/mol
• Exact Mass: 2592.87
• IUPAC Name: N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
• SMILES: CC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF.COCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.COCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.COCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF
• InChI: InChI=1S/3C23H26N4OS2.3C22H23FN4S2/c3*1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;3*1-14-16(3-2-9-27(14)10-7-23)21-12-17-18(6-8-24-22(17)29-21)26-15-4-5-20-19(11-15)25-13-28-20/h3*5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,24,26);3*4-6,8,11-14,16H,2-3,7,9-10H2,1H3,(H,24,26)/t2*15-,17+;15-,17-;14-,16+;14-,16-;/m10001./s1
• InChIKey: FKJRJOWWAGSADO-OVQWZRKHSA-N
• XLogP: 36.15
• TPSA: 273.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2595.62
LogP ≤ 5	36.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 158058763) is N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

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

The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is CC1C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF.COCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.COCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.COCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCF.

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

The InChIKey is FKJRJOWWAGSADO-OVQWZRKHSA-N. The full InChI is InChI=1S/3C23H26N4OS2.3C22H23FN4S2/c3*1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21;3*1-14-16(3-2-9-27(14)10-7-23)21-12-17-18(6-8-24-22(17)29-21)26-15-4-5-20-19(11-15)25-13-28-20/h3*5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,24,26);3*4-6,8,11-14,16H,2-3,7,9-10H2,1H3,(H,24,26)/t2*15-,17+;15-,17-;14-,16+;14-,16-;/m10001./s1.

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

N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 2595.62 g/mol, XLogP of 36.15, 33 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-5-yl)-2-[1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 158058763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).