1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

C21H24N6OS — CID 58706740

About 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 58706740) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 58706740
• Molecular Formula: C21H24N6OS
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.17
• IUPAC Name: 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCN(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1
• InChI: InChI=1S/C21H24N6OS/c1-3-20(28)26-9-11-27(12-10-26)21-23-14-17(29-21)16-5-4-6-18(24-16)25-19-13-15(2)7-8-22-19/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,24,25)
• InChIKey: AIWOUSANCZBADR-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (CID 58706740) is 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

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

The canonical SMILES for 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1.

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

The InChIKey is AIWOUSANCZBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-3-20(28)26-9-11-27(12-10-26)21-23-14-17(29-21)16-5-4-6-18(24-16)25-19-13-15(2)7-8-22-19/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,24,25).

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

1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 408.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 58706740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).