methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate

C24H22N4O3S — CID 169196678

About methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate

methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate (PubChem CID 169196678) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
• PubChem CID: 169196678
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(Nc2cc(Oc3sc(C(C)C)nc3-c3ccccc3)ccn2)n1
• InChI: InChI=1S/C24H22N4O3S/c1-15(2)22-28-21(16-8-5-4-6-9-16)24(32-22)31-17-12-13-25-20(14-17)27-19-11-7-10-18(26-19)23(29)30-3/h4-15H,1-3H3,(H,25,26,27)
• InChIKey: RYAQXULSVSQNBQ-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate (CID 169196678) is methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate.

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

The canonical SMILES for methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(Nc2cc(Oc3sc(C(C)C)nc3-c3ccccc3)ccn2)n1.

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

The InChIKey is RYAQXULSVSQNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15(2)22-28-21(16-8-5-4-6-9-16)24(32-22)31-17-12-13-25-20(14-17)27-19-11-7-10-18(26-19)23(29)30-3/h4-15H,1-3H3,(H,25,26,27).

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

methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate has a molecular weight of 446.53 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 169196678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).