2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid

C30H24N2O4S — CID 58956141

About 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid

2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid (PubChem CID 58956141) has the molecular formula C30H24N2O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
• PubChem CID: 58956141
• Molecular Formula: C30H24N2O4S
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.15
• IUPAC Name: 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
• SMILES: Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O
• InChI: InChI=1S/C30H24N2O4S/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34)
• InChIKey: PEKVSFBWKIFIQQ-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 81.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?

The IUPAC name of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid (CID 58956141) is 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid.

What is the SMILES notation for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?

The canonical SMILES for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid is Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O.

What is the InChIKey of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?

The InChIKey is PEKVSFBWKIFIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4S/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34).

What are the key properties of 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?

2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid has a molecular weight of 508.60 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-[[5-(4-phenylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 58956141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).