2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid

C25H25NO4S — CID 19773071

About 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid

2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid (PubChem CID 19773071) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid
• PubChem CID: 19773071
• Molecular Formula: C25H25NO4S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.15
• IUPAC Name: 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid
• SMILES: CCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)C1(C(=O)O)NC=CS1
• InChI: InChI=1S/C25H25NO4S/c1-3-24(29-2,25(23(27)28)26-13-14-31-25)21-9-6-10-22(16-21)30-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16,26H,3,17H2,1-2H3,(H,27,28)
• InChIKey: CUPAGEHVGQZLDR-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid?

The IUPAC name of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid (CID 19773071) is 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid?

The canonical SMILES for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid is CCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)C1(C(=O)O)NC=CS1.

What is the InChIKey of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid?

The InChIKey is CUPAGEHVGQZLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4S/c1-3-24(29-2,25(23(27)28)26-13-14-31-25)21-9-6-10-22(16-21)30-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16,26H,3,17H2,1-2H3,(H,27,28).

What are the key properties of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid?

2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid has a molecular weight of 435.55 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-3H-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 19773071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).