N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide

C22H26FN7O2S — CID 146418439

About N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide

N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 146418439) has the molecular formula C22H26FN7O2S and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide
• PubChem CID: 146418439
• Molecular Formula: C22H26FN7O2S
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.19
• IUPAC Name: N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide
• SMILES: Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C(C)(C)C)C3)c2s1
• InChI: InChI=1S/C22H26FN7O2S/c1-11(13-6-14(23)8-24-7-13)25-21-28-16(17-18(29-21)26-12(2)33-17)19(31)30-9-15(10-30)27-20(32)22(3,4)5/h6-8,11,15H,9-10H2,1-5H3,(H,27,32)(H,25,28,29)
• InChIKey: WBWPEWWFYOFMST-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 113.00 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	471.56
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide (CID 146418439) is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide is Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C(C)(C)C)C3)c2s1.

What is the InChIKey of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide?

The InChIKey is WBWPEWWFYOFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2S/c1-11(13-6-14(23)8-24-7-13)25-21-28-16(17-18(29-21)26-12(2)33-17)19(31)30-9-15(10-30)27-20(32)22(3,4)5/h6-8,11,15H,9-10H2,1-5H3,(H,27,32)(H,25,28,29).

What are the key properties of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide?

N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 471.56 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 N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146418439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).