N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

C21H25F2N7O2S — CID 170730910

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 170730910) has the molecular formula C21H25F2N7O2S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
• PubChem CID: 170730910
• Molecular Formula: C21H25F2N7O2S
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.18
• IUPAC Name: N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
• SMILES: COCCN(C)c1nc(-c2cnc(NC(C)=O)cc2Nc2cc(C)nc(C(C)(F)F)n2)cs1
• InChI: InChI=1S/C21H25F2N7O2S/c1-12-8-18(29-19(25-12)21(3,22)23)27-15-9-17(26-13(2)31)24-10-14(15)16-11-33-20(28-16)30(4)6-7-32-5/h8-11H,6-7H2,1-5H3,(H2,24,25,26,27,29,31)
• InChIKey: LNOBWMGBDWSRNQ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (CID 170730910) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is COCCN(C)c1nc(-c2cnc(NC(C)=O)cc2Nc2cc(C)nc(C(C)(F)F)n2)cs1.

What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?

The InChIKey is LNOBWMGBDWSRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O2S/c1-12-8-18(29-19(25-12)21(3,22)23)27-15-9-17(26-13(2)31)24-10-14(15)16-11-33-20(28-16)30(4)6-7-32-5/h8-11H,6-7H2,1-5H3,(H2,24,25,26,27,29,31).

What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 477.54 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).