2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol

C18H20N4O2S — CID 88878203

About 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 88878203) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
• PubChem CID: 88878203
• Molecular Formula: C18H20N4O2S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.13
• IUPAC Name: 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol
• SMILES: Cc1cnc(Nc2nc(C(C)(C)O)cs2)c(Oc2cccnc2C)c1
• InChI: InChI=1S/C18H20N4O2S/c1-11-8-14(24-13-6-5-7-19-12(13)2)16(20-9-11)22-17-21-15(10-25-17)18(3,4)23/h5-10,23H,1-4H3,(H,20,21,22)
• InChIKey: NSWQONAVZIECDJ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 80.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol (CID 88878203) is 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol.

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

The canonical SMILES for 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol is Cc1cnc(Nc2nc(C(C)(C)O)cs2)c(Oc2cccnc2C)c1.

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

The InChIKey is NSWQONAVZIECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-8-14(24-13-6-5-7-19-12(13)2)16(20-9-11)22-17-21-15(10-25-17)18(3,4)23/h5-10,23H,1-4H3,(H,20,21,22).

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

2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 356.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[5-methyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 88878203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).