1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

C13H24N2O3S — CID 106991963

About 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 106991963) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
• PubChem CID: 106991963
• Molecular Formula: C13H24N2O3S
• Molecular Weight: 288.41 g/mol
• Exact Mass: 288.15
• IUPAC Name: 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
• SMILES: COCC(C)OCC(O)CN(C)Cc1csc(C)n1
• InChI: InChI=1S/C13H24N2O3S/c1-10(7-17-4)18-8-13(16)6-15(3)5-12-9-19-11(2)14-12/h9-10,13,16H,5-8H2,1-4H3
• InChIKey: FZBBKBXJXGFVBB-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.41
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (CID 106991963) is 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

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

The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is COCC(C)OCC(O)CN(C)Cc1csc(C)n1.

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

The InChIKey is FZBBKBXJXGFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(7-17-4)18-8-13(16)6-15(3)5-12-9-19-11(2)14-12/h9-10,13,16H,5-8H2,1-4H3.

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

1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 288.41 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 106991963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).