2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine

C23H20FN3S — CID 57397896

About 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine

2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine (PubChem CID 57397896) has the molecular formula C23H20FN3S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine
• PubChem CID: 57397896
• Molecular Formula: C23H20FN3S
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.14
• IUPAC Name: 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine
• SMILES: NCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
• InChI: InChI=1S/C23H20FN3S/c24-18-14-15(10-13-25)6-7-17(18)21-26-19-8-9-20(27-22(19)28-21)23(11-12-23)16-4-2-1-3-5-16/h1-9,14H,10-13,25H2
• InChIKey: ZDARLJLQSUPMHM-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 51.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine?

The IUPAC name of 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine (CID 57397896) is 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine.

What is the SMILES notation for 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine?

The canonical SMILES for 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine is NCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1.

What is the InChIKey of 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine?

The InChIKey is ZDARLJLQSUPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3S/c24-18-14-15(10-13-25)6-7-17(18)21-26-19-8-9-20(27-22(19)28-21)23(11-12-23)16-4-2-1-3-5-16/h1-9,14H,10-13,25H2.

What are the key properties of 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine?

2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine has a molecular weight of 389.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]ethanamine is sourced from PubChem (CID 57397896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).