1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one

C20H18N4OS — CID 58163803

About 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one

1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one (PubChem CID 58163803) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
• PubChem CID: 58163803
• Molecular Formula: C20H18N4OS
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.12
• IUPAC Name: 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
• SMILES: CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4ccccn34)s2)c1
• InChI: InChI=1S/C20H18N4OS/c1-3-16(25)14-7-6-8-15(11-14)23-20-21-12-17(26-20)19-13(2)22-18-9-4-5-10-24(18)19/h4-12H,3H2,1-2H3,(H,21,23)
• InChIKey: FZMOEJBHLCUGJF-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The IUPAC name of 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one (CID 58163803) is 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one.

What is the SMILES notation for 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The canonical SMILES for 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one is CCC(=O)c1cccc(Nc2ncc(-c3c(C)nc4ccccn34)s2)c1.

What is the InChIKey of 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

The InChIKey is FZMOEJBHLCUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-16(25)14-7-6-8-15(11-14)23-20-21-12-17(26-20)19-13(2)22-18-9-4-5-10-24(18)19/h4-12H,3H2,1-2H3,(H,21,23).

What are the key properties of 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one?

1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one has a molecular weight of 362.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 58163803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).