1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol

C16H22N2O2S — CID 65488479

About 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol

1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol (PubChem CID 65488479) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol
• PubChem CID: 65488479
• Molecular Formula: C16H22N2O2S
• Molecular Weight: 306.43 g/mol
• Exact Mass: 306.14
• IUPAC Name: 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol
• SMILES: COc1ccccc1CC(C)N(C)c1ncc(C(C)O)s1
• InChI: InChI=1S/C16H22N2O2S/c1-11(9-13-7-5-6-8-14(13)20-4)18(3)16-17-10-15(21-16)12(2)19/h5-8,10-12,19H,9H2,1-4H3
• InChIKey: GUQCNXWEMCQTEI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol?

The IUPAC name of 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol (CID 65488479) is 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol.

What is the SMILES notation for 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol?

The canonical SMILES for 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol is COc1ccccc1CC(C)N(C)c1ncc(C(C)O)s1.

What is the InChIKey of 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol?

The InChIKey is GUQCNXWEMCQTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(9-13-7-5-6-8-14(13)20-4)18(3)16-17-10-15(21-16)12(2)19/h5-8,10-12,19H,9H2,1-4H3.

What are the key properties of 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol?

1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 306.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 65488479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).