2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile

C23H17FN8O2S2 — CID 24771978

About 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile

2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile (PubChem CID 24771978) has the molecular formula C23H17FN8O2S2 and a molecular weight of 520.58 g/mol. Its IUPAC name is 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
• PubChem CID: 24771978
• Molecular Formula: C23H17FN8O2S2
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.09
• IUPAC Name: 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
• SMILES: N#Cc1c(N)nc(SCc2csc(Nc3ccc(F)cn3)n2)c(C#N)c1-c1ccc(OCCO)nc1
• InChI: InChI=1S/C23H17FN8O2S2/c24-14-2-3-18(28-10-14)31-23-30-15(12-36-23)11-35-22-17(8-26)20(16(7-25)21(27)32-22)13-1-4-19(29-9-13)34-6-5-33/h1-4,9-10,12,33H,5-6,11H2,(H2,27,32)(H,28,30,31)
• InChIKey: QHMJNEWOJRRIGA-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 166.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile?

The IUPAC name of 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile (CID 24771978) is 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile.

What is the SMILES notation for 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile?

The canonical SMILES for 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2csc(Nc3ccc(F)cn3)n2)c(C#N)c1-c1ccc(OCCO)nc1.

What is the InChIKey of 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile?

The InChIKey is QHMJNEWOJRRIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8O2S2/c24-14-2-3-18(28-10-14)31-23-30-15(12-36-23)11-35-22-17(8-26)20(16(7-25)21(27)32-22)13-1-4-19(29-9-13)34-6-5-33/h1-4,9-10,12,33H,5-6,11H2,(H2,27,32)(H,28,30,31).

What are the key properties of 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile?

2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile has a molecular weight of 520.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[[2-[(5-fluoro-2-pyridinyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24771978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).