2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid

C20H20FN5O2S — CID 59468201

About 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid

2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid (PubChem CID 59468201) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid
• PubChem CID: 59468201
• Molecular Formula: C20H20FN5O2S
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.13
• IUPAC Name: 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid
• SMILES: O=C(O)C(F)C1CCN(c2ncc(-c3cccc(Nc4ccccn4)n3)s2)CC1
• InChI: InChI=1S/C20H20FN5O2S/c21-18(19(27)28)13-7-10-26(11-8-13)20-23-12-15(29-20)14-4-3-6-17(24-14)25-16-5-1-2-9-22-16/h1-6,9,12-13,18H,7-8,10-11H2,(H,27,28)(H,22,24,25)
• InChIKey: DVXHGKFRLOIHFX-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid?

The IUPAC name of 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid (CID 59468201) is 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid?

The canonical SMILES for 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid is O=C(O)C(F)C1CCN(c2ncc(-c3cccc(Nc4ccccn4)n3)s2)CC1.

What is the InChIKey of 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid?

The InChIKey is DVXHGKFRLOIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c21-18(19(27)28)13-7-10-26(11-8-13)20-23-12-15(29-20)14-4-3-6-17(24-14)25-16-5-1-2-9-22-16/h1-6,9,12-13,18H,7-8,10-11H2,(H,27,28)(H,22,24,25).

What are the key properties of 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid?

2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid has a molecular weight of 413.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-2-[1-[5-[6-(pyridin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 59468201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).