1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one

C24H27FN4O2S — CID 175658693

About 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one

1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 175658693) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 175658693
• Molecular Formula: C24H27FN4O2S
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.18
• IUPAC Name: 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)N1CCOC(c2cccc(Nc3ncc(Cc4ccccc4F)s3)n2)C1
• InChI: InChI=1S/C24H27FN4O2S/c1-24(2,3)22(30)29-11-12-31-20(15-29)19-9-6-10-21(27-19)28-23-26-14-17(32-23)13-16-7-4-5-8-18(16)25/h4-10,14,20H,11-13,15H2,1-3H3,(H,26,27,28)
• InChIKey: QLETUVIXNMFUTK-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one (CID 175658693) is 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCOC(c2cccc(Nc3ncc(Cc4ccccc4F)s3)n2)C1.

What is the InChIKey of 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one?

The InChIKey is QLETUVIXNMFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-24(2,3)22(30)29-11-12-31-20(15-29)19-9-6-10-21(27-19)28-23-26-14-17(32-23)13-16-7-4-5-8-18(16)25/h4-10,14,20H,11-13,15H2,1-3H3,(H,26,27,28).

What are the key properties of 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one?

1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 454.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-pyridinyl]morpholin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 175658693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).