2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide

C23H27FN6O2S — CID 118224339

About 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide

2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 118224339) has the molecular formula C23H27FN6O2S and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

• Compound Name: 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
• PubChem CID: 118224339
• Molecular Formula: C23H27FN6O2S
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.19
• IUPAC Name: 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
• SMILES: NCC1CCN(c2ccc(F)cc2C(=O)Nc2cnc3nc(N4CCOCC4)sc3c2)CC1
• InChI: InChI=1S/C23H27FN6O2S/c24-16-1-2-19(29-5-3-15(13-25)4-6-29)18(11-16)22(31)27-17-12-20-21(26-14-17)28-23(33-20)30-7-9-32-10-8-30/h1-2,11-12,14-15H,3-10,13,25H2,(H,27,31)
• InChIKey: MPUNEURROABVFW-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 96.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?

The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide (CID 118224339) is 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide.

What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?

The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide is NCC1CCN(c2ccc(F)cc2C(=O)Nc2cnc3nc(N4CCOCC4)sc3c2)CC1.

What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?

The InChIKey is MPUNEURROABVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2S/c24-16-1-2-19(29-5-3-15(13-25)4-6-29)18(11-16)22(31)27-17-12-20-21(26-14-17)28-23(33-20)30-7-9-32-10-8-30/h1-2,11-12,14-15H,3-10,13,25H2,(H,27,31).

What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide?

2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 118224339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).